Geometry & MOs

Info

ID:	171149
PubChem CID:	75336397
Reduced:	BrSN2O4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	369.043771
ΔH_f, kcal/mol:	-131.78
Dipole, Da:	7.75
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(3-chloro-4-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)N2C(=CC(=C2C)C=C3C(=O)N(C(=O)S3)CC(=O)OC)C

DOS

IR

Vibrations