Geometry & MOs

Info

ID:	165752
PubChem CID:	74592498
Reduced:	SO2N6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	391.185569
ΔH_f, kcal/mol:	44.88
Dipole, Da:	7.2
IP(EA), eV:	-9.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-ethyl-2-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1C(NN2C1C(=O)N(N=C2)CC(=O)NC3=NC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations