Geometry & MOs

Info

ID:	339945
PubChem CID:	127261954
Reduced:	N3O7C12H21 (1)
Stoich.:	A3B7C12D21 (1)
Weight, g/mol:	362.195405
ΔH_f, kcal/mol:	-317.53
Dipole, Da:	6.38
IP(EA), eV:	-10.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-[(2-aminoacetyl)-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C(CC([C@H](C(=O)O)N)C(=O)CCC(C(=O)O)N)[C@@H](C(=O)O)N

DOS

IR

Vibrations