Geometry & MOs

Info

ID:	88072
PubChem CID:	49900490
Reduced:	NSCl2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	610.93605
ΔH_f, kcal/mol:	-82.9
Dipole, Da:	3.28
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations