Geometry & MOs

Info

ID:	138884
PubChem CID:	52440031
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	449.078288
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	1.56
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[[3-(hydroxymethyl)phenyl]carbamoyl]phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide

Drug info:

PubChemData

Smile

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC=C4)NS(=O)(=O)C

DOS

IR

Vibrations