Geometry & MOs

Info

ID:	73079
PubChem CID:	48416953
Reduced:	ON7H17C20 (1)
Stoich.:	AB7C17D20 (1)
Weight, g/mol:	265.063346
ΔH_f, kcal/mol:	120.71
Dipole, Da:	4.11
IP(EA), eV:	-9.32(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=NC(=CC(=C3C=N2)C(=O)N4C(=C(C=N4)C#N)N)C

DOS

IR

Vibrations