Geometry & MOs

Info

ID:	73005
PubChem CID:	48416791
Reduced:	SO2N6H14C15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	394.061487
ΔH_f, kcal/mol:	18.51
Dipole, Da:	3.74
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations