Geometry & MOs

Info

ID:	137552
PubChem CID:	52226786
Reduced:	FSN2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	3.73
IP(EA), eV:	-9.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)CN2CCS(=O)(=O)CC2)F

DOS

IR

Vibrations