Geometry & MOs

Info

ID:

87968

PubChem CID:

49899163

Reduced:

BrClNSO3H19C28 (1)

Stoich.:

ABCDE3F19G28 (1)

Weight, g/mol:

517.086305

ΔHf, kcal/mol:

-23.09

Dipole, Da:

3.43

IP(EA), eV:

 -9.02(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=C(C=CC(=C4)Br)OCC5=CC=C(C=C5)Cl)/SC3=O

DOS

IR

Vibrations