Geometry & MOs

Info

ID:	312578
PubChem CID:	126606550
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	289.146013
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	3.13
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R,5S,6R)-4,5-dihydroxy-6-[(prop-2-enylamino)methyl]oxan-3-yl]-3-ethylthiourea

Drug info:

PubChemData

Smile

CCN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CNCC=C)O)O

DOS

IR

Vibrations