Geometry & MOs

Info

ID:	134647
PubChem CID:	51733924
Reduced:	Cl2N2O4C27H28 (1)
Stoich.:	A2B2C4D27E28 (1)
Weight, g/mol:	497.163683
ΔH_f, kcal/mol:	-121.97
Dipole, Da:	2.58
IP(EA), eV:	-8.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-4-chloro-N-(3-chlorophenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC(=C(C=C1)OC)OC)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations