Geometry & MOs

Info

ID:	148883
PubChem CID:	53788553
Reduced:	SN3O5C23H45 (1)
Stoich.:	AB3C5D23E45 (1)
Weight, g/mol:	402.076673
ΔH_f, kcal/mol:	-245.83
Dipole, Da:	2.08
IP(EA), eV:	-9.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[(2R)-2-amino-3-oxo-3-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxypropyl]disulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)(=O)N(C)C[C@@H]([C@@H](CC(C)C)C(=O)N1CCCCC1)C(=O)NO

DOS

IR

Vibrations