Geometry & MOs

Info

ID:

325533

PubChem CID:

126683810

Reduced:

IN3O4C12H16 (1)

Stoich.:

AB3C4D12E16 (1)

Weight, g/mol:

745.279292

ΔHf, kcal/mol:

-101.52

Dipole, Da:

5.89

IP(EA), eV:

 -9.78(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4R,6S,7Z,11R,13S,14S,18R)-13-ethyl-18-(7-fluoro-6-methoxyisoquinolin-1-yl)oxy-11-methyl-13-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-12-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamic acid

Drug info:

PubChemData

Smile

CCC1(C2CN(C3(CC3)CN2N=C1I)C(=O)O)C(=O)O

DOS

IR

Vibrations