Geometry & MOs

Info

ID:

87441

PubChem CID:

49894653

Reduced:

SN3O8H19C25 (1)

Stoich.:

AB3C8D19E25 (1)

Weight, g/mol:

563.07659

ΔHf, kcal/mol:

-73.76

Dipole, Da:

8.14

IP(EA), eV:

 -9.51(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])OC)/SC2=O

DOS

IR

Vibrations