Geometry & MOs

Info

ID:	73239
PubChem CID:	48417255
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	295.106925
ΔH_f, kcal/mol:	-36.6
Dipole, Da:	9.33
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations