Geometry & MOs

Info

ID:	201184
PubChem CID:	79503122
Reduced:	IOSN4H9C11 (1)
Stoich.:	ABCD4E9F11 (1)
Weight, g/mol:	261.068431
ΔH_f, kcal/mol:	51.53
Dipole, Da:	1.94
IP(EA), eV:	-8.98(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=C(C=NN2)C(=S)N)I

DOS

IR

Vibrations