Geometry & MOs

Info

ID:	15400
PubChem CID:	440411
Reduced:	NPSO7C11H22 (1)
Stoich.:	ABCD7E11F22 (1)
Weight, g/mol:	343.08546
ΔH_f, kcal/mol:	-401.41
Dipole, Da:	5.94
IP(EA), eV:	-9.03(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O

DOS

IR

Vibrations