Geometry & MOs

Info

ID:	26586
PubChem CID:	653273
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	393.078327
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	4.69
IP(EA), eV:	-8.69(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(CC=C)NCC2=CC=CO2)OC

DOS

IR

Vibrations