Geometry & MOs

Info

ID:	154526
PubChem CID:	56313983
Reduced:	SN4O5C18H30 (1)
Stoich.:	AB4C5D18E30 (1)
Weight, g/mol:	464.202382
ΔH_f, kcal/mol:	-177.3
Dipole, Da:	4.53
IP(EA), eV:	-9.45(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)C3=C(ON=C3C)C

DOS

IR

Vibrations