Geometry & MOs

Info

ID:	415436
PubChem CID:	135088430
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	347.155515
ΔH_f, kcal/mol:	-81.87
Dipole, Da:	2.88
IP(EA), eV:	-9.27(-0.54)
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]-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCCN(CC2)C(=O)CC3=CC=CS3)C

DOS

IR

Vibrations