Geometry & MOs

Info

ID:	49207
PubChem CID:	11528955
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	3.5
IP(EA), eV:	-9.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCNC(C1)C(=O)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations