Geometry & MOs

Info

ID:	233899
PubChem CID:	92192313
Reduced:	ClN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-126.3
Dipole, Da:	2.22
IP(EA), eV:	-9.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(furan-2-yl)-3-[(3-phenoxyphenyl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

COCCCNC(=O)[C@H]1CCC(=O)N1CC2=CC=CC=C2Cl

DOS

IR

Vibrations