Geometry & MOs

Info

ID:	312569
PubChem CID:	126606538
Reduced:	SN2O5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	303.161663
ΔH_f, kcal/mol:	-174.25
Dipole, Da:	3.52
IP(EA), eV:	-8.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5S)-6-[(cyclobutylamino)methyl]-4,5-dihydroxyoxan-2-yl] N'-ethylcarbamimidothioate

Drug info:

PubChemData

Smile

CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)COCC3=CC(=CCC3)OC)O)O

DOS

IR

Vibrations