Geometry & MOs

Info

ID:	67969
PubChem CID:	46507525
Reduced:	Cl2O2S2N3H17C22 (1)
Stoich.:	A2B2C2D3E17F22 (1)
Weight, g/mol:	493.12269
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	3.99
IP(EA), eV:	-8.54(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2C3=C(SC(=S)N3C4=CC=CC=C4C2=O)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations