Geometry & MOs

Info

ID:

222814

PubChem CID:

85332607

Reduced:

N2F3O4C27H31 (1)

Stoich.:

A2B3C4D27E31 (1)

Weight, g/mol:

541.23589

ΔHf, kcal/mol:

-276.27

Dipole, Da:

5.48

IP(EA), eV:

 -7.96(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-hydrazinylidene-6-methylcyclohexa-1,5-dien-1-yl)-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoyl] 4-methyl-1,2,3,6-tetrahydropyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1OC(F)(F)F)C(=O)N2CCC3=CC(=C(C=C32)OCCN4CCCCC4)OC

DOS

IR

Vibrations