Geometry & MOs

Info

ID:	51070
PubChem CID:	12013690
Reduced:	FO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	4.23
IP(EA), eV:	-9.36(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-amino-2-[(2-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1[C@@H](O[C@H]2[C@H]1C3=CC=CC=C3CC4=C2C=C(C=C4)F)CO

DOS

IR

Vibrations