Geometry & MOs

Info

ID:	298800
PubChem CID:	117656940
Reduced:	O2C23H32 (1)
Stoich.:	A2B23C32 (1)
Weight, g/mol:	464.142387
ΔH_f, kcal/mol:	-111.04
Dipole, Da:	2.13
IP(EA), eV:	-8.44(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[3-fluoro-4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]methyl prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)CC(C)C)CC2=CC(=C(C(=C2)C)O)C(C)(C)C

DOS

IR

Vibrations