Geometry & MOs

Info

ID:	193258
PubChem CID:	78365780
Reduced:	S2N4O4C17H20 (1)
Stoich.:	A2B4C4D17E20 (1)
Weight, g/mol:	488.182161
ΔH_f, kcal/mol:	-93.97
Dipole, Da:	4.38
IP(EA), eV:	-8.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CSC3NCCC(=O)N3)OC

DOS

IR

Vibrations