Geometry & MOs

Info

ID:	73244
PubChem CID:	48417267
Reduced:	SO2N5H9C13 (1)
Stoich.:	AB2C5D9E13 (1)
Weight, g/mol:	337.117489
ΔH_f, kcal/mol:	24.98
Dipole, Da:	3.18
IP(EA), eV:	-9.16(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations