Geometry & MOs

Info

ID:	388781
PubChem CID:	134990188
Reduced:	SF2N3O3C21H21 (1)
Stoich.:	AB2C3D3E21F21 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-130.69
Dipole, Da:	9.04
IP(EA), eV:	-9.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-2,6(17),7,9,15-pentaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C[C@H]2C[C@](OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations