Geometry & MOs

Info

ID:	134980
PubChem CID:	51792711
Reduced:	Cl2N3O5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	488.082511
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	5.53
IP(EA), eV:	-9.74(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=C(C=CC(=C1)[N+](=O)[O-])Cl)N(C2=CC=CC=C2Cl)C(=O)COC

DOS

IR

Vibrations