Geometry & MOs

Info

ID:

329089

PubChem CID:

126731220

Reduced:

PF2N3O9C22H22 (1)

Stoich.:

AB2C3D9E22F22 (1)

Weight, g/mol:

540.158543

ΔHf, kcal/mol:

-438.43

Dipole, Da:

3.59

IP(EA), eV:

 -9.44(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-1,2,3,4-tetrahydroquinoline-7-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)OC6(O5)CC6)(F)F

DOS

IR

Vibrations