Geometry & MOs

Info

ID:	339902
PubChem CID:	127261911
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-40.36
Dipole, Da:	7.03
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[(2S)-2-amino-3-naphthalen-1-ylpropanoyl]-4-methylanilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)[C@@H](CC2=CC=CC3=CC=CC=C32)N

DOS

IR

Vibrations