Geometry & MOs

Info

ID:

87782

PubChem CID:

49897289

Reduced:

SN4O9H18C25 (1)

Stoich.:

AB4C9D18E25 (1)

Weight, g/mol:

563.068462

ΔHf, kcal/mol:

-101.53

Dipole, Da:

5.13

IP(EA), eV:

 -9.01(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations