Geometry & MOs

Info

ID:

88484

PubChem CID:

49903735

Reduced:

SN2O6H24C27 (1)

Stoich.:

AB2C6D24E27 (1)

Weight, g/mol:

537.076134

ΔHf, kcal/mol:

-85.42

Dipole, Da:

7.17

IP(EA), eV:

 -8.7(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[2-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OCC4=CC=C(C=C4)C

DOS

IR

Vibrations