Geometry & MOs

Info

ID:	154341
PubChem CID:	56313757
Reduced:	F3O3N4C24H35 (1)
Stoich.:	A3B3C4D24E35 (1)
Weight, g/mol:	463.172976
ΔH_f, kcal/mol:	-301.93
Dipole, Da:	5.16
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCCCC(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations