Geometry & MOs

Info

ID:	318287
PubChem CID:	126650351
Reduced:	SF3O3N6H19C22 (1)
Stoich.:	AB3C3D6E19F22 (1)
Weight, g/mol:	530.103574
ΔH_f, kcal/mol:	-127.29
Dipole, Da:	10.31
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[2-(6-fluoropyridin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)N4NC=CN4)C=CC(=C2)S(=O)(=O)NC5=NC=CC=N5

DOS

IR

Vibrations