Geometry & MOs

Info

ID:

88254

PubChem CID:

49902633

Reduced:

BrSN2O5H27C29 (1)

Stoich.:

ABC2D5E27F29 (1)

Weight, g/mol:

622.89913

ΔHf, kcal/mol:

-120.59

Dipole, Da:

3.06

IP(EA), eV:

 -8.82(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations