Geometry & MOs

Info

ID:	88163
PubChem CID:	49901977
Reduced:	BrNSO5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	612.94201
ΔH_f, kcal/mol:	-131.73
Dipole, Da:	5.26
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OC)OC

DOS

IR

Vibrations