Geometry & MOs

Info

ID:	312574
PubChem CID:	126606543
Reduced:	NO3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	293.140927
ΔH_f, kcal/mol:	-153.47
Dipole, Da:	2.08
IP(EA), eV:	-9.16(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5S)-4,5-dihydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl] N'-methylcarbamimidothioate

Drug info:

PubChemData

Smile

CCCNCC1[C@H](C(CCO1)O)O

DOS

IR

Vibrations