Geometry & MOs

Info

ID:	401609
PubChem CID:	135051823
Reduced:	ClNS2O3C19H24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	413.088614
ΔH_f, kcal/mol:	-108.36
Dipole, Da:	8.32
IP(EA), eV:	-8.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-6-(2-methoxy-1-propan-2-ylsulfanylethyl)phenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(COC)SC(C)C

DOS

IR

Vibrations