Geometry & MOs

Info

ID:	1331
PubChem CID:	4181
Reduced:	NS2O5C8H17 (1)
Stoich.:	AB2C5D8E17 (1)
Weight, g/mol:	271.054815
ΔH_f, kcal/mol:	-217.31
Dipole, Da:	10.1
IP(EA), eV:	-8.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid

Drug info:

PubChemData

Smile

CN(CC(C(C(C(CO)O)O)O)O)C(=S)S

DOS

IR

Vibrations