Geometry & MOs

Info

ID:	394882
PubChem CID:	135024023
Reduced:	SN2O2H26C28 (1)
Stoich.:	AB2C2D26E28 (1)
Weight, g/mol:	482.166414
ΔH_f, kcal/mol:	17.61
Dipole, Da:	3.92
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-quinolin-8-yl-3-thiophen-2-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C23CCC(C2)C(C3C(=O)NC4=CC=CC5=C4N=CC=C5)C6=CC=CS6

DOS

IR

Vibrations