Geometry & MOs

Info

ID:	174430
PubChem CID:	75761574
Reduced:	ClN3O4C28H30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	507.192484
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	6.6
IP(EA), eV:	-9.33(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2-chloro-5-nitrophenyl)-2-oxoethyl]-N,2-diphenylbutanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N(C2=CC=CC=C2)C(C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)NC(C)(C)C

DOS

IR

Vibrations