Geometry & MOs

Info

ID:	159857
PubChem CID:	57288824
Reduced:	NO8C53H55 (1)
Stoich.:	AB8C53D55 (1)
Weight, g/mol:	188.152478
ΔH_f, kcal/mol:	-198.62
Dipole, Da:	8.13
IP(EA), eV:	-8.06(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,7S)-2-amino-7-(methylamino)octanoic acid

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)OC)CCCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O

DOS

IR

Vibrations