Geometry & MOs

Info

ID:	138122
PubChem CID:	52316412
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	414.16383
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	4.74
IP(EA), eV:	-9.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-azaniumyl-5-[2-[[(3S)-2,3-dihydroxy-2-[(1R)-1-hydroxyethyl]butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoate

Drug info:

PubChemData

Smile

C[C@H](C(=C)C1=C(C(=CC(=O)O1)OC)CO)O

DOS

IR

Vibrations