Geometry & MOs

Info

ID:	388588
PubChem CID:	134989558
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-39.46
Dipole, Da:	3.02
IP(EA), eV:	-9.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-benzyl-4-ethoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)C1=CC=CC=C1)/C(=N/O)/Cl

DOS

IR

Vibrations