Geometry & MOs

Info

ID:	142494
PubChem CID:	53043700
Reduced:	BrSO3N4C19H21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	3.28
IP(EA), eV:	-8.65(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-adamantyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)NC(=O)N4)Br)C

DOS

IR

Vibrations