Geometry & MOs

Info

ID:	86978
PubChem CID:	49890311
Reduced:	SN2O5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	560.02528
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	2.14
IP(EA), eV:	-9.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-bromobenzoate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations