Geometry & MOs

Info

ID:	177956
PubChem CID:	76258290
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	411.154269
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	0.98
IP(EA), eV:	-8.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-methyl-6-oxo-1,3-diazinan-2-yl)anilino]-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)C=CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations