Geometry & MOs

Info

ID:	67970
PubChem CID:	46507526
Reduced:	ClSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	473.177313
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	3.79
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbutyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CSC3=NC4=C(C(=O)N3CCC(C)C)OC5=CC=CC=C54

DOS

IR

Vibrations