Geometry & MOs

Info

ID:	168788
PubChem CID:	75019073
Reduced:	ClN2O2H25C30 (1)
Stoich.:	AB2C2D25E30 (1)
Weight, g/mol:	288.04811
ΔH_f, kcal/mol:	1.69
Dipole, Da:	2.34
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(3-fluorophenyl)sulfanyl-6-methylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC(=C3)CC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations