Geometry & MOs

Info

ID:	73324
PubChem CID:	48417428
Reduced:	SO3N5H17C19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	1.59
Dipole, Da:	9.58
IP(EA), eV:	-9.11(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations