Geometry & MOs

Info

ID:	13787
PubChem CID:	398192
Reduced:	F6O6C27H28 (1)
Stoich.:	A6B6C27D28 (1)
Weight, g/mol:	562.179008
ΔH_f, kcal/mol:	-533.09
Dipole, Da:	4.52
IP(EA), eV:	-9.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-5-[1-[4-methoxy-3-methoxycarbonyl-5-(trifluoromethyl)phenyl]hept-1-enyl]-3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCCCCC=C(C1=CC(=C(C(=C1)C(F)(F)F)OC)C(=O)OC)C2=CC(=C(C(=C2)C(F)(F)F)OC)C(=O)OC

DOS

IR

Vibrations