Geometry & MOs

Info

ID:	79353
PubChem CID:	49748196
Reduced:	FSN3O4C18H24 (1)
Stoich.:	ABC3D4E18F24 (1)
Weight, g/mol:	308.116092
ΔH_f, kcal/mol:	-183.97
Dipole, Da:	4.55
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(furan-2-yl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)NC4CC4)F

DOS

IR

Vibrations