Geometry & MOs

Info

ID:

87333

PubChem CID:

49894112

Reduced:

SN3O5H25C30 (1)

Stoich.:

AB3C5D25E30 (1)

Weight, g/mol:

589.94695

ΔHf, kcal/mol:

-97.73

Dipole, Da:

2.65

IP(EA), eV:

 -8.62(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N(C4=CC=CC=C43)CC(=O)NC5=CC6=C(C=C5)OCO6)C)/SC2=O

DOS

IR

Vibrations