Geometry & MOs

Info

ID:

334411

PubChem CID:

127252963

Reduced:

SN2O5C18H18 (1)

Stoich.:

AB2C5D18E18 (1)

Weight, g/mol:

634.373035

ΔHf, kcal/mol:

-132.72

Dipole, Da:

5.29

IP(EA), eV:

 -8.85(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=CSC=C4

DOS

IR

Vibrations