Geometry & MOs

Info

ID:	44724
PubChem CID:	10505573
Reduced:	ClO5C29H37 (1)
Stoich.:	AB5C29D37 (1)
Weight, g/mol:	501.12238
ΔH_f, kcal/mol:	6.44
Dipole, Da:	42.31
IP(EA), eV:	-10.13(-3.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl-phenoxycarbonylamino] phenyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=C2CCC3=CC=CC=C3C2=[O+]C4=CC=CC=C41.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations