Geometry & MOs

Info

ID:	376204
PubChem CID:	134222211
Reduced:	NO2F4H21C27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	477.058869
ΔH_f, kcal/mol:	-216.48
Dipole, Da:	2.74
IP(EA), eV:	-9.4(-1.41)
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-fluoro-N-(1-oxothietan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(/C=C/C2=CC(=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)F)C(F)(F)F)C

DOS

IR

Vibrations