Geometry & MOs

Info

ID:	322147
PubChem CID:	126668900
Reduced:	SF3O3N4H19C24 (1)
Stoich.:	AB3C3D4E19F24 (1)
Weight, g/mol:	517.108325
ΔH_f, kcal/mol:	-141.21
Dipole, Da:	3.15
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoropyridin-2-yl)-4-[2-(2-methyl-1,3-oxazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfinamide

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C2=C(C=CC(=C2)C(F)(F)F)C3CCOC4=C3C=CC(=C4)S(=O)NC5=NN=CC=C5

DOS

IR

Vibrations