Geometry & MOs

Info

ID:	87093
PubChem CID:	49891961
Reduced:	ClFSN2O5H22C27 (1)
Stoich.:	ABCD2E5F22G27 (1)
Weight, g/mol:	501.000463
ΔH_f, kcal/mol:	-166.7
Dipole, Da:	2.98
IP(EA), eV:	-8.86(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-2-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Cl)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations