Geometry & MOs

Info

ID:	169860
PubChem CID:	75158742
Reduced:	BrN3O4H10C16 (1)
Stoich.:	AB3C4D10E16 (1)
Weight, g/mol:	483.206602
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	10.93
IP(EA), eV:	-9.77(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxo-4aH-thieno[3,2-d]pyrimidin-1-ium-3-yl]methyl]-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC3=NC(=O)C(=O)N=C3C=C2)Br

DOS

IR

Vibrations