Geometry & MOs

Info

ID:	376151
PubChem CID:	134222154
Reduced:	ClO2F5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	414.10097
ΔH_f, kcal/mol:	-309.48
Dipole, Da:	1.49
IP(EA), eV:	-9.93(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)C)F)Cl)C(F)(F)F)F

DOS

IR

Vibrations