Geometry & MOs

Info

ID:	67522
PubChem CID:	46506637
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-20.42
Dipole, Da:	3.61
IP(EA), eV:	-9.17(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=N2)SCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations