Geometry & MOs

Info

ID:	79179
PubChem CID:	49747239
Reduced:	FSO2N3C27H32 (1)
Stoich.:	ABC2D3E27F32 (1)
Weight, g/mol:	507.253335
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	4.67
IP(EA), eV:	-8.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CS2)C(=O)NCC(C3=CC=CO3)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations