Geometry & MOs

Info

ID:	73235
PubChem CID:	48417250
Reduced:	SN4O4H16C19 (1)
Stoich.:	AB4C4D16E19 (1)
Weight, g/mol:	272.073182
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	10.19
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-methylphenyl)sulfanylacetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations