Geometry & MOs

Info

ID:	218824
PubChem CID:	85090033
Reduced:	ClF3O6C25H26 (1)
Stoich.:	AB3C6D25E26 (1)
Weight, g/mol:	514.009378
ΔH_f, kcal/mol:	-381.47
Dipole, Da:	7.19
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-chloro-2-pyridin-2-ylsulfonylphenyl)sulfonylphenyl]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)OC1=CC=C(C=C1)OCCOC2=C(C=C3C(=C2)OC(C=C3C(F)(F)F)(C)C)Cl

DOS

IR

Vibrations