Geometry & MOs

Info

ID:	134981
PubChem CID:	51793223
Reduced:	N2O2Cl3H23C25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	488.082511
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	4.49
IP(EA), eV:	-9.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)Cl)N(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations