Geometry & MOs

Info

ID:	318337
PubChem CID:	126650543
Reduced:	SO3F4N4H20C26 (1)
Stoich.:	AB3C4D4E20F26 (1)
Weight, g/mol:	432.085444
ΔH_f, kcal/mol:	-210.29
Dipole, Da:	7.52
IP(EA), eV:	-9.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methoxyethoxy)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)[C@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=C(C=N5)F

DOS

IR

Vibrations