Geometry & MOs

Info

ID:	49983
PubChem CID:	11538590
Reduced:	O6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-238.31
Dipole, Da:	2.7
IP(EA), eV:	-9.11(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenoxy]methyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CC2=CC3=C(COC34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C2

DOS

IR

Vibrations