Geometry & MOs

Info

ID:

179677

PubChem CID:

76518320

Reduced:

PF3O5N8C30H34 (1)

Stoich.:

AB3C5D8E30F34 (1)

Weight, g/mol:

688.213452

ΔHf, kcal/mol:

-323.26

Dipole, Da:

11.59

IP(EA), eV:

 -8.57(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)spiro[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-7,3'-oxetane]-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=C(N(CCCO1)N=C5C)C)C(=O)NC)C(F)(F)F)OC

DOS

IR

Vibrations