Geometry & MOs

Info

ID:	147383
PubChem CID:	53787039
Reduced:	O2F3N7H24C28 (1)
Stoich.:	A2B3C7D24E28 (1)
Weight, g/mol:	518.223929
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	8.01
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4aR,10bR)-8,9-diethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]phenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=C(C=CC=N3)C4=NNN=N4)C5=CC=CC=C5C(=O)C(F)(F)F

DOS

IR

Vibrations