Geometry & MOs

Info

ID:

179676

PubChem CID:

76518319

Reduced:

PF3O7N8C34H38 (1)

Stoich.:

AB3C7D8E34F38 (1)

Weight, g/mol:

674.234188

ΔHf, kcal/mol:

-394.36

Dipole, Da:

3.96

IP(EA), eV:

 -8.56(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-ethoxy-14-methoxy-N,3,31-trimethyl-10-oxo-20-(trifluoromethyl)-9-oxa-4,5,16,18,22,25,28-heptaza-10lambda5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide

Drug info:

PubChemData

Smile

CCOP1(=O)CC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=C(N=C(C=C4)C5=CN(CCCO1)C(=C5)C(=O)N6CC(C6)(C)O)C(=O)NC)C(F)(F)F)OC

DOS

IR

Vibrations