Geometry & MOs

Info

ID:	394885
PubChem CID:	135024026
Reduced:	SN2O2H26C29 (1)
Stoich.:	AB2C2D26E29 (1)
Weight, g/mol:	438.176585
ΔH_f, kcal/mol:	13.46
Dipole, Da:	5.63
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-N-quinolin-8-yl-1-thiophen-2-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2C3CCC(C3)(C2C(=O)NC4=CC=CC5=C4N=CC=C5)C6=CC=CS6

DOS

IR

Vibrations