Geometry & MOs

Info

ID:	447572
PubChem CID:	135283923
Reduced:	NO2F3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	468.16314
ΔH_f, kcal/mol:	-203.07
Dipole, Da:	3.02
IP(EA), eV:	-9.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CN(C(CC1C(F)F)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations