Geometry & MOs

Info

ID:

124854

PubChem CID:

50899844

Reduced:

O2N4H14C15 (1)

Stoich.:

A2B4C14D15 (1)

Weight, g/mol:

505.148515

ΔHf, kcal/mol:

10.66

Dipole, Da:

5.84

IP(EA), eV:

 -9.17(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9R,11S,14S,16S)-1',8-diacetyl-14-ethoxy-11-methylspiro[10,15,17,18-tetraoxa-8,12-diazapentacyclo[7.6.2.111,14.01,9.02,7]octadeca-2,4,6,12-tetraene-16,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=CC=C(N2N=C1C3=CC=CC=C3)N

DOS

IR

Vibrations