Geometry & MOs

Info

ID:	88132
PubChem CID:	49901810
Reduced:	NSCl3O3H16C24 (1)
Stoich.:	ABC3D3E16F24 (1)
Weight, g/mol:	590.93096
ΔH_f, kcal/mol:	-54.97
Dipole, Da:	5.39
IP(EA), eV:	-9.39(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations