Geometry & MOs

Info

ID:	182630
PubChem CID:	76916902
Reduced:	OS2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	283.081305
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	6.27
IP(EA), eV:	-8.77(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=S)N(C(=O)C12)CC(C)(C)N(C)C)C

DOS

IR

Vibrations