Geometry & MOs

Info

ID:	84015
PubChem CID:	49863273
Reduced:	N2O3F6H20C22 (1)
Stoich.:	A2B3C6D20E22 (1)
Weight, g/mol:	271.096834
ΔH_f, kcal/mol:	-423.63
Dipole, Da:	4.27
IP(EA), eV:	-9.16(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(1S,3R,4R,5R)-4-fluoro-1-(hydroxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations