Geometry & MOs

Info

ID:	370910
PubChem CID:	127341259
Reduced:	SN3O4C14H25 (1)
Stoich.:	AB3C4D14E25 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-179.99
Dipole, Da:	8.18
IP(EA), eV:	-9.18(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl-methylamino]-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN(C)C2CCN(C2=O)C

DOS

IR

Vibrations