Geometry & MOs

Info

ID:	84921
PubChem CID:	49870672
Reduced:	FSN5O11C36H46 (1)
Stoich.:	ABC5D11E36F46 (1)
Weight, g/mol:	443.267173
ΔH_f, kcal/mol:	-453.77
Dipole, Da:	4.26
IP(EA), eV:	-9.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-7-[(5S)-5-hydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-3-oxocyclopentyl]heptanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C=C(\C)/C(=O)OC[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC(=O)N4CC5=C(C4)C(=CC=C5)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C=C(\C)/C(=O)OC[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC(=O)N4CC5=C(C4)C(=CC=C5)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):