Geometry & MOs

Info

ID:	22258
PubChem CID:	596428
Reduced:	SN2O3C27H32 (1)
Stoich.:	AB2C3D27E32 (1)
Weight, g/mol:	464.213364
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	8.09
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)sulfonyl-3-[(4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl)methyl]indole

Drug info:

PubChemData

Smile

CC1=CCC2CC1C(NC2(C)C)CC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations