Geometry & MOs

Info

ID:	165995
PubChem CID:	74622301
Reduced:	ClNO7C22H22 (1)
Stoich.:	ABC7D22E22 (1)
Weight, g/mol:	480.123858
ΔH_f, kcal/mol:	-237.62
Dipole, Da:	5.52
IP(EA), eV:	-8.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-methyl-[3-[1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazol-4-yl]propyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)OC)Cl)OC

DOS

IR

Vibrations