Geometry & MOs

Info

ID:

88164

PubChem CID:

49902005

Reduced:

BrClNS2O5H17C27 (1)

Stoich.:

ABCD2E5F17G27 (1)

Weight, g/mol:

542.046998

ΔHf, kcal/mol:

-96.95

Dipole, Da:

1.94

IP(EA), eV:

 -9.06(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-chloro-4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations