Geometry & MOs

Info

ID:	154616
PubChem CID:	56314088
Reduced:	FSO3N4H19C25 (1)
Stoich.:	ABC3D4E19F25 (1)
Weight, g/mol:	477.206385
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	0.96
IP(EA), eV:	-9.35(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations