Geometry & MOs

Info

ID:	166206
PubChem CID:	74650564
Reduced:	SN3O5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-83.93
Dipole, Da:	7.01
IP(EA), eV:	-8.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylfuran-2-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations