Geometry & MOs

Info

ID:

87750

PubChem CID:

49897015

Reduced:

SN4O8H22C23 (1)

Stoich.:

AB4C8D22E23 (1)

Weight, g/mol:

526.076549

ΔHf, kcal/mol:

-165.65

Dipole, Da:

5.76

IP(EA), eV:

 -9.38(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OC4=NC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations