Geometry & MOs

Info

ID:	308799
PubChem CID:	126522726
Reduced:	N7H23C27 (1)
Stoich.:	A7B23C27 (1)
Weight, g/mol:	342.146072
ΔH_f, kcal/mol:	207.28
Dipole, Da:	3.15
IP(EA), eV:	-8.6(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;methanesulfonic acid

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=NC=C6

DOS

IR

Vibrations