Geometry & MOs

Info

ID:	49488
PubChem CID:	11533104
Reduced:	FSN4O6C21H25 (1)
Stoich.:	ABC4D6E21F25 (1)
Weight, g/mol:	480.153049
ΔH_f, kcal/mol:	-238.08
Dipole, Da:	6.47
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-(difluoromethoxy)-2-hydroxy-9-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)F)CN/C(=C\2/C(=O)C(=O)N3CCCOC4(C3=N2)CCC4)/O

DOS

IR

Vibrations