Geometry & MOs

Info

ID:

87563

PubChem CID:

49895460

Reduced:

SN2O7H22C27 (1)

Stoich.:

AB2C7D22E27 (1)

Weight, g/mol:

506.106706

ΔHf, kcal/mol:

-119.96

Dipole, Da:

4.33

IP(EA), eV:

 -9.23(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[2-[(Z)-[3-[(3-methylphenyl)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=C3C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations