Geometry & MOs

Info

ID:	352809
PubChem CID:	127283898
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	1.61
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=O)N3C=CC=CC3=N2)C(=O)N4CCSCC4

DOS

IR

Vibrations