Geometry & MOs

Info

ID:	146353
PubChem CID:	53673956
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-104.05
Dipole, Da:	2.13
IP(EA), eV:	-10.04(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-amino-4-hydroxy-6-phenylhexanoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CCCCCCOC(=O)C1=CC=CC=C1

DOS

IR

Vibrations