Geometry & MOs

Info

ID:	225579
PubChem CID:	85856246
Reduced:	ON6C11H12 (1)
Stoich.:	AB6C11D12 (1)
Weight, g/mol:	267.067762
ΔH_f, kcal/mol:	63.75
Dipole, Da:	7.33
IP(EA), eV:	-9.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=NC2C(=NC(=NC2=O)N)N

DOS

IR

Vibrations