Geometry & MOs

Info

ID:

179675

PubChem CID:

76518318

Reduced:

PF3N7O7C31H33 (1)

Stoich.:

AB3C7D7E31F33 (1)

Weight, g/mol:

758.255317

ΔHf, kcal/mol:

-285.32

Dipole, Da:

7.0

IP(EA), eV:

 -8.52(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-ethoxy-4-(3-hydroxy-3-methylazetidine-1-carbonyl)-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)-9-oxa-5,16,18,22,25,28-hexaza-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)OC)C(=O)NC)C(F)(F)F)OC

DOS

IR

Vibrations