Geometry & MOs

Info

ID:	238776
PubChem CID:	93165480
Reduced:	ON3C18H31 (1)
Stoich.:	AB3C18D31 (1)
Weight, g/mol:	306.124943
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	3.59
IP(EA), eV:	-8.4(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H](CN)N2C[C@H](O[C@@H](C2)C)C

DOS

IR

Vibrations