Geometry & MOs

Info

ID:	190911
PubChem CID:	78074892
Reduced:	OSN2C12H18 (2)
Stoich.:	ABC2D12E18 (2)
Weight, g/mol:	472.156513
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	6.02
IP(EA), eV:	-8.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetamide

Drug info:

PubChemData

Smile

CCCN(CCC1CCC(CC1)NS(=O)(=O)C2=CC=CC=C2)C3CCC4=C(C3)SC(=N4)N

DOS

IR

Vibrations