Geometry & MOs

Info

ID:	376197
PubChem CID:	134222204
Reduced:	OF3N3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	489.078855
ΔH_f, kcal/mol:	-149.25
Dipole, Da:	2.72
IP(EA), eV:	-9.21(-0.62)
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-methoxy-N-(1-oxothietan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC3=NC=CN3C)C)C(F)(F)F)C

DOS

IR

Vibrations