Geometry & MOs

Info

ID:	146417
PubChem CID:	53687427
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	331.210721
ΔH_f, kcal/mol:	-175.59
Dipole, Da:	4.27
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N)C(C)(C)C

DOS

IR

Vibrations