Geometry & MOs

Info

ID:	329501
PubChem CID:	126737624
Reduced:	SN3F4O6H19C22 (1)
Stoich.:	AB3C4D6E19F22 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-355.33
Dipole, Da:	2.05
IP(EA), eV:	-9.67(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR)-3,3,7-trimethyl-1,4,4a,5,7,8-hexahydropyrano[4,3-c]oxepine

Drug info:

PubChemData

Smile

C1C2=C(CN1C(=O)COC3=CC=C(C=C3)OC(F)(F)F)CN(C2)C(=O)C4=C(C=C(C=C4)S(=O)(=O)N)F

DOS

IR

Vibrations