Geometry & MOs

Info

ID:	67523
PubChem CID:	46506642
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	361.088498
ΔH_f, kcal/mol:	-19.11
Dipole, Da:	4.53
IP(EA), eV:	-8.96(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1H-indol-3-yl)ethyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCN2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S

DOS

IR

Vibrations