Geometry & MOs

Info

ID:	124121
PubChem CID:	50872816
Reduced:	ClNS2O4H18C25 (1)
Stoich.:	ABC2D4E18F25 (1)
Weight, g/mol:	499.011506
ΔH_f, kcal/mol:	-45.95
Dipole, Da:	5.27
IP(EA), eV:	-9.06(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations