Geometry & MOs

Info

ID:

214506

PubChem CID:

85083134

Reduced:

BrPO6C24H48 (1)

Stoich.:

ABC6D24E48 (1)

Weight, g/mol:

545.191048

ΔHf, kcal/mol:

-416.83

Dipole, Da:

3.01

IP(EA), eV:

 -9.96(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[(2,6-dioxo-1,3-diazinan-4-yl)methoxyiminomethyl]-20-ethyl-20-(hydroxymethyl)-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4,6,8,10,15(21)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC1COC(CO1)COP(=O)(O)OCCBr

DOS

IR

Vibrations