Geometry & MOs

Info

ID:	22345
PubChem CID:	596838
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-152.26
Dipole, Da:	6.73
IP(EA), eV:	-9.54(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations