Geometry & MOs

Info

ID:	242899
PubChem CID:	99213702
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	430.172642
ΔH_f, kcal/mol:	-103.23
Dipole, Da:	5.17
IP(EA), eV:	-8.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azetidin-1-ylsulfonyl)-4-fluoro-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)CCOC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations