Geometry & MOs

Info

ID:	134956
PubChem CID:	51789825
Reduced:	ClNOC15H16 (2)
Stoich.:	ABCD15E16 (2)
Weight, g/mol:	522.184084
ΔH_f, kcal/mol:	-59.77
Dipole, Da:	5.47
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N(C1=CC=CC=C1Cl)[C@@H](C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations