Geometry & MOs

Info

ID:	29958
PubChem CID:	838517
Reduced:	ClNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	147.089543
ΔH_f, kcal/mol:	-68.42
Dipole, Da:	4.56
IP(EA), eV:	-8.75(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-amino-2-hydroxy-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations