Geometry & MOs

Info

ID:	9187
PubChem CID:	87071
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	7.7
IP(EA), eV:	-9.31(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations