Geometry & MOs

Info

ID:

87650

PubChem CID:

49896280

Reduced:

SN3O7H17C24 (1)

Stoich.:

AB3C7D17E24 (1)

Weight, g/mol:

524.080885

ΔHf, kcal/mol:

-32.18

Dipole, Da:

3.67

IP(EA), eV:

 -9.47(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations