Geometry & MOs

Info

ID:	376050
PubChem CID:	134222051
Reduced:	SO2F3N3C20H22 (1)
Stoich.:	AB2C3D3E20F22 (1)
Weight, g/mol:	425.078124
ΔH_f, kcal/mol:	-143.98
Dipole, Da:	2.92
IP(EA), eV:	-8.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1(N(C(C(O1)C2=CC=C(C=C2)C3=CN=C(C=C3)S(=N)C)CF)C(=O)C(F)F)C

DOS

IR

Vibrations