Geometry & MOs

Info

ID:	223572
PubChem CID:	85335255
Reduced:	ClSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	445.168768
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	5.03
IP(EA), eV:	-9.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dichloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)COC(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations