Geometry & MOs

Info

ID:	156460
PubChem CID:	56370718
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	2.33
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)C(=O)NC3CCN(C3)C4CCCCCC4

DOS

IR

Vibrations