Geometry & MOs

Info

ID:	322056
PubChem CID:	126668438
Reduced:	BrNO3C25H28 (1)
Stoich.:	ABC3D25E28 (1)
Weight, g/mol:	610.10602
ΔH_f, kcal/mol:	-90.59
Dipole, Da:	3.44
IP(EA), eV:	-9.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)N(C2=CC=CC(=C2)/C=C/C(=O)OC)C(=O)C3CCCCC3

DOS

IR

Vibrations