Geometry & MOs

Info

ID:	87802
PubChem CID:	49897488
Reduced:	ClSN3O7H24C25 (1)
Stoich.:	ABC3D7E24F25 (1)
Weight, g/mol:	518.081758
ΔH_f, kcal/mol:	-215.71
Dipole, Da:	5.41
IP(EA), eV:	-8.88(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)Cl)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations