Geometry & MOs

Info

ID:	192441
PubChem CID:	78269225
Reduced:	NS2O5H13C21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	404.162174
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	3.95
IP(EA), eV:	-9.13(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-amino-1,3-dimethyl-2,6-dioxo-5H-pyrimidin-3-ium-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations