Geometry & MOs

Info

ID:

181399

PubChem CID:

76743051

Reduced:

FN2O8C29H33 (1)

Stoich.:

AB2C8D29E33 (1)

Weight, g/mol:

547.243084

ΔHf, kcal/mol:

-356.0

Dipole, Da:

7.93

IP(EA), eV:

 -9.46(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-(3-ethyl-4-isocyanoanilino)-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C1C(=O)N(CCO1)C2=CC(=CC(=C2)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4)F)O

DOS

IR

Vibrations