Geometry & MOs

Info

ID:

87747

PubChem CID:

49897012

Reduced:

SN3O7C26H27 (1)

Stoich.:

AB3C7D26E27 (1)

Weight, g/mol:

526.076549

ΔHf, kcal/mol:

-214.59

Dipole, Da:

1.16

IP(EA), eV:

 -9.05(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-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)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations