Geometry & MOs

Info

ID:	219033
PubChem CID:	85090392
Reduced:	N3O5C32H35 (1)
Stoich.:	A3B5C32D35 (1)
Weight, g/mol:	541.045429
ΔH_f, kcal/mol:	-114.43
Dipole, Da:	5.1
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[2-(3-chloro-2-methylphenyl)sulfonyl-4-methylphenyl]sulfonylphenyl]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NOCC4=CC=CC=C4

DOS

IR

Vibrations