Geometry & MOs

Info

ID:	164927
PubChem CID:	74473971
Reduced:	SN4O4C21H30 (1)
Stoich.:	AB4C4D21E30 (1)
Weight, g/mol:	447.187974
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	6.23
IP(EA), eV:	-8.55(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5H-pyrimidin-3-ium-5-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1NC2C(C(N1)SCC3COC4=CC=CC=C4O3)C(=O)N(C(=O)N2CC(C)C)C

DOS

IR

Vibrations