Geometry & MOs

Info

ID:	138347
PubChem CID:	52352598
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	369.147727
ΔH_f, kcal/mol:	-51.38
Dipole, Da:	1.72
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylamino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CNC(=O)[C@H]3CS[C@@]4(N3C(=O)CC4)C

DOS

IR

Vibrations