Geometry & MOs

Info

ID:	167781
PubChem CID:	74874479
Reduced:	OS2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	280.070405
ΔH_f, kcal/mol:	22.71
Dipole, Da:	4.41
IP(EA), eV:	-8.66(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCCN1C(=O)C2C=CSC2=NC1=S

DOS

IR

Vibrations