Geometry & MOs

Info

ID:	148208
PubChem CID:	53787870
Reduced:	ClNO4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	457.074168
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	4.11
IP(EA), eV:	-9.99(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-[5-(3-methyl-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N=C(CC(=O)O)C(=O)O

DOS

IR

Vibrations