Geometry & MOs

Info

ID:	339904
PubChem CID:	127261913
Reduced:	O2N9C17H33 (1)
Stoich.:	A2B9C17D33 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-58.56
Dipole, Da:	8.82
IP(EA), eV:	-9.1(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]-benzylamino]hexanamide

Drug info:

PubChemData

Smile

C1=C(NC=N1)CCN([C@@H](CCCCN)C(=O)N)C(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations