Geometry & MOs

Info

ID:	86891
PubChem CID:	49889907
Reduced:	BrSCl2N2O2H19C24 (1)
Stoich.:	ABC2D2E2F19G24 (1)
Weight, g/mol:	481.07955
ΔH_f, kcal/mol:	-32.82
Dipole, Da:	7.19
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations