Geometry & MOs

Info

ID:	87523
PubChem CID:	49895213
Reduced:	SN2O6H22C26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	519.03512
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	7.81
IP(EA), eV:	-8.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-bromo-6-ethoxy-4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations