Geometry & MOs

Info

ID:	238922
PubChem CID:	93165732
Reduced:	SN2O4C14H26 (1)
Stoich.:	AB2C4D14E26 (1)
Weight, g/mol:	318.161329
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	4.37
IP(EA), eV:	-9.1(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O

DOS

IR

Vibrations