Geometry & MOs

Info

ID:	87633
PubChem CID:	49896068
Reduced:	SN3O5H25C30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	475.00891
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	1.83
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(N(C4=CC=CC=C43)CC(=O)NC5=CC6=C(C=C5)OCO6)C)/SC2=O

DOS

IR

Vibrations