Geometry & MOs

Info

ID:

86596

PubChem CID:

49887498

Reduced:

ClNSO5H18C25 (1)

Stoich.:

ABCD5E18F25 (1)

Weight, g/mol:

614.02778

ΔHf, kcal/mol:

-116.96

Dipole, Da:

5.12

IP(EA), eV:

 -9.44(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations