Geometry & MOs

Info

ID:	238921
PubChem CID:	93165731
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	318.161329
ΔH_f, kcal/mol:	-54.99
Dipole, Da:	3.56
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(2S,6S)-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](C2=CC=CC=N2)C(=O)N3CCNCC3

DOS

IR

Vibrations