Geometry & MOs

Info

ID:	37188
PubChem CID:	8018110
Reduced:	ClSO2N4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	389.125467
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	4.65
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-7-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CNC(=O)CSC1=NN=C(N1C[C@H]2CCCO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations