Geometry & MOs

Info

ID:

329093

PubChem CID:

126731228

Reduced:

PF2N3O9C23H24 (1)

Stoich.:

AB2C3D9E23F24 (1)

Weight, g/mol:

417.113627

ΔHf, kcal/mol:

-454.02

Dipole, Da:

6.11

IP(EA), eV:

 -9.36(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)OP1(=O)OC[C@@H]2[C@@H](O1)C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC5=C(C=C4)OCC6(O5)CC6)(F)F

DOS

IR

Vibrations