Geometry & MOs

Info

ID:	253343
PubChem CID:	103117870
Reduced:	OSN4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	260.073182
ΔH_f, kcal/mol:	59.86
Dipole, Da:	3.05
IP(EA), eV:	-8.78(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamothioylphenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=S)N)NC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations