Geometry & MOs

Info

ID:	217694
PubChem CID:	85088230
Reduced:	FN2S2O6C14H15 (1)
Stoich.:	AB2C2D6E14F15 (1)
Weight, g/mol:	389.158685
ΔH_f, kcal/mol:	-224.84
Dipole, Da:	5.5
IP(EA), eV:	-9.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-oxo-1,6-dihydropyrimidin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1(C(N2C(S1=O)C(C2=O)NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)O)C

DOS

IR

Vibrations