Geometry & MOs

Info

ID:

45137

PubChem CID:

10508273

Reduced:

PCl2N2O5C32H39 (1)

Stoich.:

AB2C2D5E32F39 (1)

Weight, g/mol:

537.359337

ΔHf, kcal/mol:

-237.76

Dipole, Da:

6.14

IP(EA), eV:

 -9.34(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5,10,14,19-tetraethyl-9,15-dimethyl-4,20-dipropyl-2-oxa-22,23,24-triaza-21-azoniapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),4,6,8,10,12,14,16(22),17,19-undecaene

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(O)P(=O)(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations