Geometry & MOs

Info

ID:	67971
PubChem CID:	46507529
Reduced:	SN3O3C27H27 (1)
Stoich.:	AB3C3D27E27 (1)
Weight, g/mol:	480.102289
ΔH_f, kcal/mol:	-27.41
Dipole, Da:	6.52
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=C(C(=O)N3CCC(C)C)OC5=CC=CC=C54

DOS

IR

Vibrations