Geometry & MOs

Info

ID:	61172
PubChem CID:	26706603
Reduced:	SO2N6C22H28 (1)
Stoich.:	AB2C6D22E28 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	7.2
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)CCC2=C(N3C(=NC(=N3)SC)N=C2C)C

DOS

IR

Vibrations