Geometry & MOs

Info

ID:	87960
PubChem CID:	49899057
Reduced:	NO2S2H15C20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	652.93302
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	3.46
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations