Geometry & MOs

Info

ID:	134961
PubChem CID:	51789949
Reduced:	ClN2O4C26H31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	448.191756
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	1.49
IP(EA), eV:	-8.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-chlorophenyl)benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](/C=C/CCC)N(C1=CC=CC=C1Cl)C(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations