Geometry & MOs

Info

ID:

333970

PubChem CID:

127252522

Reduced:

N2O5H26C30 (1)

Stoich.:

A2B5C26D30 (1)

Weight, g/mol:

606.341735

ΔHf, kcal/mol:

-81.1

Dipole, Da:

2.45

IP(EA), eV:

 -8.35(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CCCN3C4=C(C5=C(C3=O)C(=C(C=C5)OC)OC)C(=O)C6=CC=CC=C64

DOS

IR

Vibrations