Geometry & MOs

Info

ID:	176905
PubChem CID:	76109065
Reduced:	SN5O7C18H23 (1)
Stoich.:	AB5C7D18E23 (1)
Weight, g/mol:	391.131682
ΔH_f, kcal/mol:	-258.95
Dipole, Da:	10.65
IP(EA), eV:	-9.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylidene-2,6-dioxopyrimidin-3-ium-1-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1C(NC(=O)O1)C(=O)N(CC(=O)O)C(=O)C2CCCN2C(=O)C(CC3=CSC=N3)N

DOS

IR

Vibrations