Geometry & MOs

Info

ID:	183332
PubChem CID:	77009242
Reduced:	N2O2S2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	296.06532
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	5.86
IP(EA), eV:	-8.89(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=S)N(C(=O)C12)CCOC3CCCC3)C

DOS

IR

Vibrations