Geometry & MOs

Info

ID:	87693
PubChem CID:	49896580
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	505.01947
ΔH_f, kcal/mol:	-62.09
Dipole, Da:	4.93
IP(EA), eV:	-8.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)N(C)C)/SC2=O

DOS

IR

Vibrations