Geometry & MOs

Info

ID:	72985
PubChem CID:	48416763
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	331.07391
ΔH_f, kcal/mol:	31.53
Dipole, Da:	5.43
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(=CC1C(C1(C)C)C(=O)N2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations