Geometry & MOs

Info

ID:	281598
PubChem CID:	103914093
Reduced:	FN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-89.45
Dipole, Da:	3.69
IP(EA), eV:	-9.41(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=C(C=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations