Geometry & MOs

Info

ID:	446942
PubChem CID:	135279016
Reduced:	SO2N3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	433.15928
ΔH_f, kcal/mol:	74.39
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.169093
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 2-[2-[2-[2-[2-[4-(1-sulfanylethylamino)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethioate

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C=C1)OC2=CC=C(C=C2)C#N)C3=C4C=CNC4=[N+](C(=C3)C)OC

DOS

IR

Vibrations