Geometry & MOs

Info

ID:	18134
PubChem CID:	538454
Reduced:	SN2O9C22H28 (1)
Stoich.:	AB2C9D22E28 (1)
Weight, g/mol:	496.151552
ΔH_f, kcal/mol:	-375.37
Dipole, Da:	2.47
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S

DOS

IR

Vibrations