Geometry & MOs

Info

ID:	56048
PubChem CID:	17403997
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	319.044919
ΔH_f, kcal/mol:	21.97
Dipole, Da:	1.81
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

C=CCNC(=O)CN1CCN(CC1)C2=C3C4=C(CCCC4)SC3=NC=N2

DOS

IR

Vibrations