Geometry & MOs

Info

ID:	318227
PubChem CID:	126649847
Reduced:	N4C11H13 (2)
Stoich.:	A4B11C13 (2)
Weight, g/mol:	633.065633
ΔH_f, kcal/mol:	139.61
Dipole, Da:	6.02
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) (4R)-4-[2-(5-fluoro-6-methylpyridin-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonate

Drug info:

PubChemData

Smile

CC1CC(CCN1)C2=CC=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations