Geometry & MOs

Info

ID:	86788
PubChem CID:	49889334
Reduced:	FNSCl2O3H16C24 (1)
Stoich.:	ABCD2E3F16G24 (1)
Weight, g/mol:	546.981477
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	4.14
IP(EA), eV:	-9.41(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations