Geometry & MOs

Info

ID:

395520

PubChem CID:

135025697

Reduced:

B2O5H42C52 (1)

Stoich.:

A2B5C42D52 (1)

Weight, g/mol:

580.151552

ΔHf, kcal/mol:

-208.85

Dipole, Da:

1.94

IP(EA), eV:

 -8.37(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,16S,20R)-12-(methoxymethoxy)-10-[(4-methylphenyl)sulfonyloxymethyl]-14-oxo-15-oxa-3,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,12-hexaene-19-carboxylate

Drug info:

PubChemData

Smile

B1(OB(OC2=C3C4=C(CCCC4)C=CC3=CC(=C2C5=C(C=C6C=CC7=C(C6=C5O1)CCCC7)C8=CC=CC=C8)C9=CC=CC=C9)OC1=CC=CC=C1)OC1=CC=CC=C1

DOS

IR

Vibrations