Geometry & MOs

Info

ID:	139701
PubChem CID:	52582091
Reduced:	SN2O3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	465.226371
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	5.07
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aS,7aS)-N-(5-acetamido-2-methoxyphenyl)-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

C1COC[C@@H]1[C@@H](CNC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3)N4CCOCC4

DOS

IR

Vibrations