Geometry & MOs

Info

ID:	54301
PubChem CID:	16962141
Reduced:	N2S2O7C15H16 (1)
Stoich.:	A2B2C7D15E16 (1)
Weight, g/mol:	480.212118
ΔH_f, kcal/mol:	-164.63
Dipole, Da:	2.34
IP(EA), eV:	-9.57(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations