Geometry & MOs

Info

ID:	299206
PubChem CID:	117679367
Reduced:	ClSN3O4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-107.62
Dipole, Da:	8.14
IP(EA), eV:	-10.17(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC(=CC(=N1)Cl)C2C3C2CN(C3)C(=O)O

DOS

IR

Vibrations