Geometry & MOs

Info

ID:	244269
PubChem CID:	99319632
Reduced:	ClN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	477.135842
ΔH_f, kcal/mol:	-143.87
Dipole, Da:	4.64
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfanyl-3-nitrobenzoyl)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C(=O)NCCNC(=O)CC2=CC=CC=C2)OC

DOS

IR

Vibrations