Geometry & MOs

Info

ID:	69382
PubChem CID:	46530907
Reduced:	FSO3N4C23H29 (1)
Stoich.:	ABC3D4E23F29 (1)
Weight, g/mol:	499.128981
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	8.18
IP(EA), eV:	-8.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC(C1=CC(=CC=C1)F)N(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations