Geometry & MOs

Info

ID:	326454
PubChem CID:	126687592
Reduced:	NS2O6C11H23 (1)
Stoich.:	AB2C6D11E23 (1)
Weight, g/mol:	250.116486
ΔH_f, kcal/mol:	-296.75
Dipole, Da:	5.36
IP(EA), eV:	-9.27(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R,3S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCSSCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations