Geometry & MOs

Info

ID:	386687
PubChem CID:	134982540
Reduced:	O3C31H36 (2)
Stoich.:	A3B31C36 (2)
Weight, g/mol:	356.154132
ΔH_f, kcal/mol:	342.5
Dipole, Da:	28.71
IP(EA), eV:	-5.43(-3.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-7-diphenylphosphorylhept-5-enyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC4=C3OCCOC5=CC=C(/C=C\C6=CC=C(C=C6)OCCOC7=C(CC8=C(C(=CC(=C8)C(C)(C)C)C4)O)C=C(C=C7C2)C(C)(C)C)C=C5)C(C)(C)C)O

DOS

IR

Vibrations