Geometry & MOs

Info

ID:	84160
PubChem CID:	49864665
Reduced:	ON3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	315.215806
ΔH_f, kcal/mol:	16.33
Dipole, Da:	4.54
IP(EA), eV:	-8.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC(=C1)N2CCN(CC2)C)C(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations