Geometry & MOs

Info

ID:

438842

PubChem CID:

135228600

Reduced:

SO4N5C26H33 (1)

Stoich.:

AB4C5D26E33 (1)

Weight, g/mol:

511.268236

ΔHf, kcal/mol:

-117.07

Dipole, Da:

1.08

IP(EA), eV:

 -8.18(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-tert-butyl-9-[(Z)-1-[4,4-dihydroxypentyl(methyl)amino]-3-iminoprop-1-en-2-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=CC=CC=C3OC)C(C)(C)C(=O)NC(C)C)/N=C/C=C\N

DOS

IR

Vibrations