Geometry & MOs

Info

ID:	67200
PubChem CID:	46506047
Reduced:	SN3O4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-122.07
Dipole, Da:	5.65
IP(EA), eV:	-8.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O

DOS

IR

Vibrations