Geometry & MOs

Info

ID:	262085
PubChem CID:	103269146
Reduced:	FNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-114.56
Dipole, Da:	3.07
IP(EA), eV:	-8.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]hexanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NCC2=CC=C(S2)C(=O)O)F

DOS

IR

Vibrations