Geometry & MOs

Info

ID:	379266
PubChem CID:	134356965
Reduced:	FO3N6C21H23 (1)
Stoich.:	AB3C6D21E23 (1)
Weight, g/mol:	385.01749
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	4.69
IP(EA), eV:	-8.44(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4-(4-hydroxynaphthalen-1-yl)-2-(iodoamino)butanoate

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)N(C2=O)C3CC3)N(C1)CC(=O)N/C(=C/C=C(/C4=CN=C(C=C4)F)\N)/N

DOS

IR

Vibrations