Geometry & MOs

Info

ID:	397170
PubChem CID:	135029832
Reduced:	ClO7H25C27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	441.143236
ΔH_f, kcal/mol:	-232.74
Dipole, Da:	6.2
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methoxyphenyl)-4-phenylsulfanylbutyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)CC1=C(C(=C(C=C1OCC2=CC=CC=C2)Cl)OC)C3=C(C=CC=C3OC(=O)C)OC(=O)C

DOS

IR

Vibrations