Geometry & MOs

Info

ID:	140019
PubChem CID:	52631495
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	473.234828
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	7.58
IP(EA), eV:	-8.68(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-[[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C

DOS

IR

Vibrations