Geometry & MOs

Info

ID:	376198
PubChem CID:	134222205
Reduced:	ClNSO3F4H20C22 (1)
Stoich.:	ABCD3E4F20G22 (1)
Weight, g/mol:	435.9608
ΔH_f, kcal/mol:	-272.51
Dipole, Da:	7.35
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-1,3-dichloro-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NC3CS(=O)C3)OC)C(F)(F)F

DOS

IR

Vibrations