Geometry & MOs

Info

ID:

181006

PubChem CID:

76715471

Reduced:

NO5C20H29 (1)

Stoich.:

AB5C20D29 (1)

Weight, g/mol:

748.276456

ΔHf, kcal/mol:

-207.87

Dipole, Da:

6.24

IP(EA), eV:

 -9.79(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)O)C(=O)O

DOS

IR

Vibrations