Geometry & MOs

Info

ID:	87828
PubChem CID:	49897765
Reduced:	SBr2N2O4H14C19 (1)
Stoich.:	AB2C2D4E14F19 (1)
Weight, g/mol:	563.036099
ΔH_f, kcal/mol:	-80.84
Dipole, Da:	3.82
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-6-methoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br

DOS

IR

Vibrations