Geometry & MOs

Info

ID:	143051
PubChem CID:	53139704
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-53.51
Dipole, Da:	4.45
IP(EA), eV:	-8.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C=C(N2)C(=O)N3CCN(CC3)C(C)C)CN4CCOCC4

DOS

IR

Vibrations