Geometry & MOs

Info

ID:

434412

PubChem CID:

135174893

Reduced:

SN7O7C48H59 (1)

Stoich.:

AB7C7D48E59 (1)

Weight, g/mol:

332.248032

ΔHf, kcal/mol:

-164.9

Dipole, Da:

3.32

IP(EA), eV:

 -8.34(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,14-diethyl-2-hydroxy-3,14-dimethyl-1-oxa-2lambda5-phosphacyclotetradecane 2-oxide

Drug info:

PubChemData

Smile

CC(=C(C1=CC=C(C=C1)CNC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCCN3C=C(C(=N3)C4=CC=NC=C4)C5=CC6=C(C=C5)/C(=N/O)/CC6)O)SC=C)C

DOS

IR

Vibrations