Geometry & MOs

Info

ID:	73254
PubChem CID:	48417285
Reduced:	OSN6H14C19 (1)
Stoich.:	ABC6D14E19 (1)
Weight, g/mol:	355.056152
ΔH_f, kcal/mol:	115.04
Dipole, Da:	5.24
IP(EA), eV:	-8.82(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations