Geometry & MOs

Info

ID:	41737
PubChem CID:	8147006
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	19.15
Dipole, Da:	2.26
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC=C1[C@@H]2CCCN2CC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

DOS

IR

Vibrations