Geometry & MOs

Info

ID:	405758
PubChem CID:	135075311
Reduced:	NSF3O5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	422.172939
ΔH_f, kcal/mol:	-306.44
Dipole, Da:	2.07
IP(EA), eV:	-9.29(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-6-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1CC=C(C(C1)(CC2=CC=CC=C2)CC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations