Geometry & MOs

Info

ID:

219465

PubChem CID:

85148712

Reduced:

PN2O8C25H27 (1)

Stoich.:

AB2C8D25E27 (1)

Weight, g/mol:

512.17948

ΔHf, kcal/mol:

-354.04

Dipole, Da:

4.5

IP(EA), eV:

 -8.42(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-ethenyl-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-oxa-12-aza-2-azoniapentacyclo[14.3.1.02,14.05,13.06,11]icosa-2(14),3,5(13),6,8,10-hexaene-20-carboxylate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC3C(O2)COP4(O3)(OC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6)OC

DOS

IR

Vibrations