Geometry & MOs

Info

ID:

181197

PubChem CID:

76715710

Reduced:

S2N5O7C40H51 (1)

Stoich.:

A2B5C7D40E51 (1)

Weight, g/mol:

716.304385

ΔHf, kcal/mol:

-195.0

Dipole, Da:

4.68

IP(EA), eV:

 -8.6(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3-fluoro-5-methylanilino)-18-isoquinolin-1-yloxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)N)C(=O)NS(=O)(=O)C6(CC6)C)C7=NC(=CS7)C(C)C)OC

DOS

IR

Vibrations