Geometry & MOs

Info

ID:	77171
PubChem CID:	48425880
Reduced:	FSN3O4C17H26 (1)
Stoich.:	ABC3D4E17F26 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-214.36
Dipole, Da:	7.44
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-(4-ethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=CC=C1F

DOS

IR

Vibrations