Geometry & MOs

Info

ID:	218921
PubChem CID:	85090162
Reduced:	NSF3O3H28C29 (1)
Stoich.:	ABC3D3E28F29 (1)
Weight, g/mol:	527.324688
ΔH_f, kcal/mol:	-201.28
Dipole, Da:	3.98
IP(EA), eV:	-8.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2-dimethyl-5-oxo-7-(10-oxohexadec-2-enyl)-7,7a-dihydro-4H-furo[3,4-d][1,3]dioxin-4a-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OS(=O)(=O)C(F)(F)F)C2=C(C=CC3=CC=CC=C32)CN(C)C(C)C4=CC=CC=C4)C

DOS

IR

Vibrations