Geometry & MOs

Info

ID:	304916
PubChem CID:	124766310
Reduced:	FN2O5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	429.262757
ΔH_f, kcal/mol:	-205.9
Dipole, Da:	3.78
IP(EA), eV:	-9.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R,6R,7R)-2-N-cyclohexyl-6-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

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@@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC=CC=C4F)C(=O)OC

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@@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC=CC=C4F)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):