Geometry & MOs

Info

ID:	248269
PubChem CID:	103080135
Reduced:	SO3N4C9H16 (1)
Stoich.:	AB3C4D9E16 (1)
Weight, g/mol:	242.083747
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	9.82
IP(EA), eV:	-8.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-(thian-4-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(CCS(=O)C)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations