Geometry & MOs

Info

ID:	378235
PubChem CID:	134224311
Reduced:	ClFNO3H23C26 (1)
Stoich.:	ABCD3E23F26 (1)
Weight, g/mol:	590.221085
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	5.36
IP(EA), eV:	-8.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(4R)-3-[[2-[1-[2-chloro-6-(trifluoromethyl)phenoxy]ethenyl]phenyl]methyl]-4-methylhexyl]-3-fluorobenzoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC(=C(C=C1)N2C=C(C3=CC=CC=C32)C(=O)C4(CC=CC=C4Cl)C)F

DOS

IR

Vibrations