Geometry & MOs

Info

ID:

187328

PubChem CID:

77559928

Reduced:

NSO13C18H33 (1)

Stoich.:

ABC13D18E33 (1)

Weight, g/mol:

461.243833

ΔHf, kcal/mol:

-595.08

Dipole, Da:

3.59

IP(EA), eV:

 -8.72(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[1-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-3-yl]-6-fluorocyclohexa-2,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.O.O.O.O.O.OS(=O)(=O)O

DOS

IR

Vibrations