Geometry & MOs

Info

ID:	83094
PubChem CID:	49857139
Reduced:	ClO2N5H20C23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	406.121195
ΔH_f, kcal/mol:	9.54
Dipole, Da:	4.07
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN1C=NC2=CC(=C(C=C2C1=O)NCC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl

DOS

IR

Vibrations