Geometry & MOs

Info

ID:	322157
PubChem CID:	126668967
Reduced:	S2F3O3N4H17C23 (1)
Stoich.:	A2B3C3D4E17F23 (1)
Weight, g/mol:	495.123975
ΔH_f, kcal/mol:	-153.48
Dipole, Da:	8.63
IP(EA), eV:	-9.34(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[2-(3-fluoropropyl)-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)C4=NC=CS4)C=CC(=C2)S(=O)(=O)NC5=NC=CC=N5

DOS

IR

Vibrations