Geometry & MOs

Info

ID:	18211
PubChem CID:	538922
Reduced:	SN2O10C22H28 (1)
Stoich.:	AB2C10D22E28 (1)
Weight, g/mol:	512.146466
ΔH_f, kcal/mol:	-409.84
Dipole, Da:	4.72
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-N'-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)N=C(NC2=CC=C(C=C2)OC)S)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations