Geometry & MOs

Info

ID:	134954
PubChem CID:	51789440
Reduced:	ClSN2O2C25H33 (1)
Stoich.:	ABC2D2E25F33 (1)
Weight, g/mol:	522.184084
ΔH_f, kcal/mol:	-88.95
Dipole, Da:	2.09
IP(EA), eV:	-9.1(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=CC=C1)N(C2=CC=CC=C2Cl)C(=O)CCS

DOS

IR

Vibrations