Geometry & MOs

Info

ID:	167798
PubChem CID:	74878041
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	255.997634
ΔH_f, kcal/mol:	-74.64
Dipole, Da:	2.27
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-oxo-2-sulfanylidene-4aH-thieno[3,2-d]pyrimidin-3-yl)acetate

Drug info:

PubChemData

Smile

CCC(CC)N(C)C(=O)COC1=CC=C(C=C1)C(=NO)N

DOS

IR

Vibrations