Geometry & MOs

Info

ID:	87411
PubChem CID:	49894516
Reduced:	BrSN2O5H13C18 (1)
Stoich.:	ABC2D5E13F18 (1)
Weight, g/mol:	476.0445
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	5.9
IP(EA), eV:	-9.58(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations