Geometry & MOs

Info

ID:	73040
PubChem CID:	48416867
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	329.05826
ΔH_f, kcal/mol:	-0.31
Dipole, Da:	7.87
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations