Geometry & MOs

Info

ID:	124235
PubChem CID:	50876018
Reduced:	O2N4C5H6 (1)
Stoich.:	A2B4C5D6 (1)
Weight, g/mol:	351.059696
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	2.47
IP(EA), eV:	-9.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-chloro-4-methylphenyl)-5-phenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione

Drug info:

PubChemData

Smile

C1=C(N2C=NNC2NC1=O)O

DOS

IR

Vibrations