Geometry & MOs

Info

ID:	382836
PubChem CID:	134974213
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-154.74
Dipole, Da:	4.22
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(morpholine-4-carbonyl)phenyl]sulfanylmethyl]bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC(CSC1=CC=CC(=C1)C(=O)N2CCOCC2)C(=O)OCCN(C)C

DOS

IR

Vibrations