Geometry & MOs

Info

ID:	421177
PubChem CID:	135115513
Reduced:	NSO4C20H29 (1)
Stoich.:	ABC4D20E29 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-171.75
Dipole, Da:	6.0
IP(EA), eV:	-9.08(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-[3-(dimethylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)S(=O)(=O)C3=C(C(=C(C=C3C)OC)C)C)OCC1

DOS

IR

Vibrations