Geometry & MOs

Info

ID:	341869
PubChem CID:	127264562
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	393.239434
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	3.9
IP(EA), eV:	-8.26(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(CC2=CC=CC=C21)C(=O)N

DOS

IR

Vibrations