Geometry & MOs

Info

ID:	7330
PubChem CID:	72172
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-179.72
Dipole, Da:	6.41
IP(EA), eV:	-9.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations