Geometry & MOs

Info

ID:	302714
PubChem CID:	124393241
Reduced:	ClFO3H14C21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	409.040312
ΔH_f, kcal/mol:	-92.36
Dipole, Da:	2.37
IP(EA), eV:	-9.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-2-(2,4-dichlorophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)[C@@H](C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations