Geometry & MOs

Info

ID:	398358
PubChem CID:	135032944
Reduced:	N2O7C24H30 (1)
Stoich.:	A2B7C24D30 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-289.47
Dipole, Da:	1.79
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-amino-5-(3-fluorophenyl)pent-4-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC[C@]12C(C=C(C1=O)O)C(=O)NC3=CC=CC=C23)C(=O)OC(C)(C)C

DOS

IR

Vibrations