Geometry & MOs

Info

ID:	161431
PubChem CID:	57391667
Reduced:	N2O8C15H20 (1)
Stoich.:	A2B8C15D20 (1)
Weight, g/mol:	427.102035
ΔH_f, kcal/mol:	-332.46
Dipole, Da:	8.68
IP(EA), eV:	-9.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9aR)-7-(3-fluoro-5-propan-2-yloxyphenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations