Geometry & MOs

Info

ID:	159089
PubChem CID:	57260141
Reduced:	PC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	416.020926
ΔH_f, kcal/mol:	2.61
Dipole, Da:	1.2
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methoxyphenyl) 4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfinate

Drug info:

PubChemData

Smile

C1CCC(C1)P(C2CCCC2)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations