Geometry & MOs

Info

ID:	135310
PubChem CID:	51850800
Reduced:	ClNOC15H16 (2)
Stoich.:	ABCD15E16 (2)
Weight, g/mol:	496.168434
ΔH_f, kcal/mol:	-62.2
Dipole, Da:	1.65
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-N-butyl-2-(N-[2-(2,3-dichlorophenyl)acetyl]anilino)-3-phenylbutanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@H](C(=O)NC2CCCCC2)N(C3=CC=CC=C3)C(=O)CC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations