Geometry & MOs

Info

ID:	160587
PubChem CID:	57389139
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-185.52
Dipole, Da:	6.48
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[5-(5-methylsulfonylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)C2CC3=C(O2)C=CC(=C3)C4=CN=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations