Geometry & MOs

Info

ID:	358566
PubChem CID:	127296198
Reduced:	FON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	5.55
IP(EA), eV:	-9.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfinyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CNC3(CCOCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations