Geometry & MOs

Info

ID:	157415
PubChem CID:	56424072
Reduced:	S2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	416.130697
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	8.5
IP(EA), eV:	-8.37(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-(6-methylsulfanylpyridin-3-yl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CN=C(C=C3)SC)C

DOS

IR

Vibrations