Geometry & MOs

Info

ID:	147563
PubChem CID:	53787219
Reduced:	ClO2S2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	505.203528
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	5.76
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C=CS(=O)(=O)C=CSC1=CC=C(C=C1)Cl

DOS

IR

Vibrations