Geometry & MOs

Info

ID:	425597
PubChem CID:	135126890
Reduced:	F2N3O6C19H19 (1)
Stoich.:	A2B3C6D19E19 (1)
Weight, g/mol:	422.140176
ΔH_f, kcal/mol:	-306.97
Dipole, Da:	6.44
IP(EA), eV:	-9.49(-1.03)
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]-1,2,3,4-tetrahydroquinoline-6-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)OC1

DOS

IR

Vibrations