Geometry & MOs

Info

ID:	171209
PubChem CID:	75344055
Reduced:	SN2O5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	650.98824
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	3.91
IP(EA), eV:	-8.98(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2,4-dioxo-3-(2-phenoxyethyl)-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations