Geometry & MOs

Info

ID:	62516
PubChem CID:	26719825
Reduced:	SO3N5H13C16 (1)
Stoich.:	AB3C5D13E16 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	70.43
Dipole, Da:	3.24
IP(EA), eV:	-8.64(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-(3-methylsulfanylphenyl)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

DOS

IR

Vibrations