Geometry & MOs

Info

ID:	376012
PubChem CID:	134222012
Reduced:	OCl2F3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	453.114098
ΔH_f, kcal/mol:	-160.92
Dipole, Da:	3.11
IP(EA), eV:	-9.84(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-(thietan-3-yl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations