Geometry & MOs

Info

ID:	149095
PubChem CID:	53788766
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	430.181191
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	6.62
IP(EA), eV:	-9.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(1R,8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol

Drug info:

PubChemData

Smile

CCN(O)S(=O)(=O)C1=C(C=C(C=C1C)C)C

DOS

IR

Vibrations