Geometry & MOs

Info

ID:	322131
PubChem CID:	126668782
Reduced:	PN2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	598.086034
ΔH_f, kcal/mol:	103.71
Dipole, Da:	3.88
IP(EA), eV:	-8.34(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) (4S)-4-[2-(4-fluorobutyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonate

Drug info:

PubChemData

Smile

C1CNCCNCCCN(CCN(C1)C#P)C#P

DOS

IR

Vibrations