Geometry & MOs

Info

ID:	142882
PubChem CID:	53108089
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	4.62
IP(EA), eV:	-8.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylphenyl)methyl]-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCSCCCNC(=O)C1=NC2=C(C(=N1)N3CCOCC3)OC4=CC=CC=C42

DOS

IR

Vibrations