Geometry & MOs

Info

ID:	38019
PubChem CID:	8026424
Reduced:	FO3N5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	404.094312
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	4.04
IP(EA), eV:	-8.53(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations