Geometry & MOs

Info

ID:	11450
PubChem CID:	115722
Reduced:	SN2O5C7H14 (1)
Stoich.:	AB2C5D7E14 (1)
Weight, g/mol:	238.062343
ΔH_f, kcal/mol:	-214.99
Dipole, Da:	4.88
IP(EA), eV:	-9.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamimidothioic acid

Drug info:

PubChemData

Smile

C(C1[C@@H]([C@H]([C@@H](C(O1)N=C(N)S)O)O)O)O

DOS

IR

Vibrations