Geometry & MOs

Info

ID:	401593
PubChem CID:	135051769
Reduced:	ClNO3H18C25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	409.138151
ΔH_f, kcal/mol:	55.88
Dipole, Da:	6.42
IP(EA), eV:	-9.45(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)phenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations