Geometry & MOs

Info

ID:	79934
PubChem CID:	49831519
Reduced:	ClO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	382.138051
ΔH_f, kcal/mol:	-111.49
Dipole, Da:	3.47
IP(EA), eV:	-10.24(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-3-[4-fluoro-5-(4-fluorophenyl)-2-phenylfuran-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCC/C=C/[C@@H](C(=O)OC)Cl

DOS

IR

Vibrations