Geometry & MOs

Info

ID:

87846

PubChem CID:

49897920

Reduced:

BrNSCl2O4H20C26 (1)

Stoich.:

ABCD2E4F20G26 (1)

Weight, g/mol:

638.95348

ΔHf, kcal/mol:

-84.95

Dipole, Da:

8.1

IP(EA), eV:

 -8.88(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)OC

DOS

IR

Vibrations