Geometry & MOs

Info

ID:	306712
PubChem CID:	125235745
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	364.182064
ΔH_f, kcal/mol:	-186.44
Dipole, Da:	5.92
IP(EA), eV:	-9.08(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,4aR,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2C[C@@H]3[C@H](CCS(=O)(=O)[C@@H]3C2)C(=O)N4CCOCC4

DOS

IR

Vibrations