Geometry & MOs

Info

ID:	322152
PubChem CID:	126668941
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	643.106355
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	3.38
IP(EA), eV:	-8.58(2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) 4-[2-(6-propan-2-yloxypyridin-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfinate

Drug info:

PubChemData

Smile

CC(C)C1(CCN(CC1)C2CCOCC2)C

DOS

IR

Vibrations