Geometry & MOs

Info

ID:	135311
PubChem CID:	51850802
Reduced:	ClNOC14H15 (2)
Stoich.:	ABCD14E15 (2)
Weight, g/mol:	496.168434
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	6.94
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]([C@@H](C)C1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations