Geometry & MOs

Info

ID:	248268
PubChem CID:	103080128
Reduced:	SO3N4C8H14 (1)
Stoich.:	AB3C4D8E14 (1)
Weight, g/mol:	260.094312
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	8.41
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(4-methylsulfinylbutan-2-yl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCCS(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations