Geometry & MOs

Info

ID:	188335
PubChem CID:	77700626
Reduced:	SN3O3C18H31 (1)
Stoich.:	AB3C3D18E31 (1)
Weight, g/mol:	264.114378
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	5.34
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl] N,N-dimethylcarbamimidothioate

Drug info:

PubChemData

Smile

CCCCOC1C(OC2C(C1OCCCC)N=C(S2)N(C)C)CC#N

DOS

IR

Vibrations