Geometry & MOs

Info

ID:	425598
PubChem CID:	135126892
Reduced:	F2N4O5C19H20 (1)
Stoich.:	A2B4C5D19E20 (1)
Weight, g/mol:	441.11477
ΔH_f, kcal/mol:	-266.79
Dipole, Da:	9.38
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)C(=O)NC3=NC(=O)N(C=C3)C4C([C@@H](C(O4)CO)O)(F)F)NC1

DOS

IR

Vibrations