Geometry & MOs

Info

ID:	182629
PubChem CID:	76916901
Reduced:	OS2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	311.112605
ΔH_f, kcal/mol:	9.48
Dipole, Da:	7.69
IP(EA), eV:	-7.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-2-methylpropyl]-5,6-dimethyl-2-sulfanylidene-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)C2C3=C(CCC3)SC2=NC1=S)N(C)C

DOS

IR

Vibrations