Geometry & MOs

Info

ID:	73038
PubChem CID:	48416862
Reduced:	SO3N5H13C14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	277.063346
ΔH_f, kcal/mol:	10.41
Dipole, Da:	2.42
IP(EA), eV:	-9.58(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations