Geometry & MOs

Info

ID:	376178
PubChem CID:	134222183
Reduced:	OCl2N2F3H25C27 (1)
Stoich.:	AB2C2D3E25F27 (1)
Weight, g/mol:	443.103054
ΔH_f, kcal/mol:	-163.27
Dipole, Da:	3.57
IP(EA), eV:	-9.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)C)Cl)C(F)(F)F)C(=O)NC(C)(C)C3=CC=CC=N3

DOS

IR

Vibrations