Geometry & MOs

Info

ID:	192799
PubChem CID:	78313278
Reduced:	N3O5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	308.038627
ΔH_f, kcal/mol:	-212.87
Dipole, Da:	6.01
IP(EA), eV:	-9.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-8-chloro-2-sulfanylidene-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC2C(=NC(=O)N(C2=O)CC3CCC(CC3)C(=O)NCCC(C)C)C=C1OCC

DOS

IR

Vibrations