Geometry & MOs

Info

ID:	69950
PubChem CID:	47205905
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	275.084081
ΔH_f, kcal/mol:	-78.54
Dipole, Da:	0.74
IP(EA), eV:	-9.3(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylimidazol-4-ol

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NCC1=NC(=CS1)C

DOS

IR

Vibrations