Geometry & MOs

Info

ID:	159307
PubChem CID:	57269538
Reduced:	NO6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-156.29
Dipole, Da:	1.29
IP(EA), eV:	-9.57(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-oxopent-4-enylamino)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C1=O)C(C)COC(=O)OOC(C)(C)C2=CC=CC=C2

DOS

IR

Vibrations