Geometry & MOs

Info

ID:	73035
PubChem CID:	48416857
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	305.05826
ΔH_f, kcal/mol:	6.15
Dipole, Da:	8.68
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations