Geometry & MOs

Info

ID:	379267
PubChem CID:	134356968
Reduced:	INO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	383.00184
ΔH_f, kcal/mol:	-80.36
Dipole, Da:	2.51
IP(EA), eV:	-8.56(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-formylnaphthalen-1-yl)-2-iodobutanoic acid

Drug info:

PubChemData

Smile

COC(=O)[C@H](CCC1=CC=C(C2=CC=CC=C12)O)NI

DOS

IR

Vibrations