Geometry & MOs

Info

ID:	79183
PubChem CID:	49747288
Reduced:	SN3O3C28H35 (1)
Stoich.:	AB3C3D28E35 (1)
Weight, g/mol:	519.273321
ΔH_f, kcal/mol:	-49.55
Dipole, Da:	2.67
IP(EA), eV:	-8.26(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3(CCCCC3)C4=CC=CS4)C5=CC=CO5

DOS

IR

Vibrations