Geometry & MOs

Info

ID:	87032
PubChem CID:	49890763
Reduced:	ClFSN2O6H22C24 (1)
Stoich.:	ABCD2E6F22G24 (1)
Weight, g/mol:	496.130422
ΔH_f, kcal/mol:	-224.95
Dipole, Da:	4.67
IP(EA), eV:	-8.63(-1.14)
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] 4-methylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations