Geometry & MOs

Info

ID:	87799
PubChem CID:	49897477
Reduced:	SN2O7H22C23 (1)
Stoich.:	AB2C7D22E23 (1)
Weight, g/mol:	533.056272
ΔH_f, kcal/mol:	-214.41
Dipole, Da:	4.89
IP(EA), eV:	-8.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC

DOS

IR

Vibrations