Geometry & MOs

Info

ID:	419288
PubChem CID:	135107891
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	401.21147
ΔH_f, kcal/mol:	-89.71
Dipole, Da:	6.34
IP(EA), eV:	-9.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations