Geometry & MOs

Info

ID:

179674

PubChem CID:

76518317

Reduced:

O3N4C23H26 (1)

Stoich.:

A3B4C23D26 (1)

Weight, g/mol:

703.213118

ΔHf, kcal/mol:

-75.21

Dipole, Da:

5.4

IP(EA), eV:

 -8.68(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 10-ethoxy-14-methoxy-24-(methylcarbamoyl)-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-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1OCCN(C2)C(=O)N3CCC(C3)O)C4=CC5=C(C=C4)N=C(N5)C

DOS

IR

Vibrations