Geometry & MOs

Info

ID:	272175
PubChem CID:	103730797
Reduced:	ClO3N4H11C13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	16.6
Dipole, Da:	3.38
IP(EA), eV:	-10.5(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations