Geometry & MOs

Info

ID:	218753
PubChem CID:	85089910
Reduced:	ClO2C32H51 (1)
Stoich.:	AB2C32D51 (1)
Weight, g/mol:	504.131977
ΔH_f, kcal/mol:	-169.38
Dipole, Da:	1.39
IP(EA), eV:	-9.07(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,3-pentafluoro-N-[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl]propanamide

Drug info:

PubChemData

Smile

CC(CCC=C(C)CCl)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5CCCCO5)C)C

DOS

IR

Vibrations