Geometry & MOs

Info

ID:	88005
PubChem CID:	49899622
Reduced:	NSBr2Cl2O4H13C19 (1)
Stoich.:	ABC2D2E4F13G19 (1)
Weight, g/mol:	516.970912
ΔH_f, kcal/mol:	-111.92
Dipole, Da:	1.28
IP(EA), eV:	-9.15(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)Br)Br

DOS

IR

Vibrations