Geometry & MOs

Info

ID:	161405
PubChem CID:	57391573
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	412.212633
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	7.16
IP(EA), eV:	-8.32(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-2-(2-phenylethyl)-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole

Drug info:

PubChemData

Smile

CC1C2CN(CCC2CC3=C1C4=C(N3)C=CC(=C4)NCS(=O)(=O)N)C

DOS

IR

Vibrations