Geometry & MOs

Info

ID:	154208
PubChem CID:	56313613
Reduced:	FSN3O4H22C23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	464.147153
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	4.68
IP(EA), eV:	-8.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C

DOS

IR

Vibrations