Geometry & MOs

Info

ID:	223607
PubChem CID:	85335302
Reduced:	ClSO3N5C20H28 (1)
Stoich.:	ABC3D5E20F28 (1)
Weight, g/mol:	462.249413
ΔH_f, kcal/mol:	-96.57
Dipole, Da:	4.35
IP(EA), eV:	-9.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3,4,4a,5,6a,7,8,9,10,10a,10b-dodecahydro-1H-phenanthridin-6-one

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)NCCCN3C=CN=C3

DOS

IR

Vibrations