Geometry & MOs

Info

ID:	323175
PubChem CID:	126673216
Reduced:	O2N5H17C18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	71.62
Dipole, Da:	5.7
IP(EA), eV:	-8.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2,5-diamino-6-(4-hydroxyphenyl)-2-methyl-4-oxohexanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NN3C(=NC=C3C4=CC(=C(C=C4)OC)OC)C=C2

DOS

IR

Vibrations