Geometry & MOs

Info

ID:	87437
PubChem CID:	49894638
Reduced:	BrSN2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	416.059756
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	2.33
IP(EA), eV:	-9.39(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations