Geometry & MOs

Info

ID:	343533
PubChem CID:	127266706
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	2.38
IP(EA), eV:	-9.47(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-3-nitropyridin-2-yl)amino]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)C(CO)NC2=C(C=CC=N2)[N+](=O)[O-]

DOS

IR

Vibrations