Geometry & MOs

Info

ID:	87794
PubChem CID:	49897415
Reduced:	SN2O5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	573.05692
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	1.97
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3

DOS

IR

Vibrations