Geometry & MOs

Info

ID:	304749
PubChem CID:	124766125
Reduced:	FN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	477.206385
ΔH_f, kcal/mol:	-139.2
Dipole, Da:	4.79
IP(EA), eV:	-8.87(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R,6R,7R)-2-N-benzyl-6-N-(4-fluorophenyl)-3-(2-methylpropyl)-4-oxo-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

CC(C)CN1[C@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4=CC=C(C=C4)F)C(=O)NCC5=CC=CC=C5

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

CC(C)CN1[C@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4=CC=C(C=C4)F)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):