Geometry & MOs

Info

ID:	401608
PubChem CID:	135051822
Reduced:	NO4H25C32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	413.088614
ΔH_f, kcal/mol:	55.27
Dipole, Da:	6.77
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=C(C=C2)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations