Geometry & MOs

Info

ID:	51072
PubChem CID:	12013692
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	5.74
IP(EA), eV:	-9.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-amino-2-[(4-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C[C@@](CC1=CC(=CC=C1)Cl)(C(=O)N)C(=O)O

DOS

IR

Vibrations