Geometry & MOs

Info

ID:	376099
PubChem CID:	134222102
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	445.983052
ΔH_f, kcal/mol:	-190.49
Dipole, Da:	3.66
IP(EA), eV:	-9.0(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trichloro-5-[(E)-1,1,1-trifluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC(C)C(=O)OC(C)C1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)NC=O)SC

DOS

IR

Vibrations