Geometry & MOs

Info

ID:	73363
PubChem CID:	48417524
Reduced:	SO3N6H12C15 (1)
Stoich.:	AB3C6D12E15 (1)
Weight, g/mol:	360.10046
ΔH_f, kcal/mol:	16.16
Dipole, Da:	8.0
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=NC(=CS2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations