Geometry & MOs

Info

ID:	376187
PubChem CID:	134222192
Reduced:	NOF3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	445.97185
ΔH_f, kcal/mol:	-168.57
Dipole, Da:	3.45
IP(EA), eV:	-9.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]thiobenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(/C=C/C2=CC=C(C=C2)C(=O)NC)C(F)(F)F)C

DOS

IR

Vibrations