Geometry & MOs

Info

ID:	394883
PubChem CID:	135024024
Reduced:	SN2O3H26C29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	424.160935
ΔH_f, kcal/mol:	-14.54
Dipole, Da:	3.57
IP(EA), eV:	-8.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-quinolin-8-yl-1-thiophen-2-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CC1C(C2C(=O)NC3=CC=CC4=C3N=CC=C4)C5=CC=CS5)C6=C7C(=CC=C6)OCCO7

DOS

IR

Vibrations