Geometry & MOs

Info

ID:	86543
PubChem CID:	49886909
Reduced:	NSO3H23C25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	519.127107
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	2.16
IP(EA), eV:	-8.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCOC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations