Geometry & MOs

Info

ID:	437340
PubChem CID:	135225593
Reduced:	FNC19H34 (1)
Stoich.:	ABC19D34 (1)
Weight, g/mol:	544.260708
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	3.31
IP(EA), eV:	-8.75(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-methylpyrrolidin-1-yl]propan-2-yl]-6-(4-methoxyphenyl)sulfonylhexanamide

Drug info:

PubChemData

Smile

CC/C=C(/CCCN1CCCC1)\C=C/CCCCCCF

DOS

IR

Vibrations