Geometry & MOs

Info

ID:	193077
PubChem CID:	78338974
Reduced:	OSN4C17H26 (1)
Stoich.:	ABC4D17E26 (1)
Weight, g/mol:	434.229111
ΔH_f, kcal/mol:	-6.03
Dipole, Da:	5.68
IP(EA), eV:	-8.52(0.18)
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] 3-hydroxyadamantane-1-carboxylate

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CSC2NCNN2C3=CC=CC=C3

DOS

IR

Vibrations