Geometry & MOs

Info

ID:

187329

PubChem CID:

77560301

Reduced:

FO4N5C23H32 (1)

Stoich.:

AB4C5D23E32 (1)

Weight, g/mol:

459.228183

ΔHf, kcal/mol:

-188.79

Dipole, Da:

7.84

IP(EA), eV:

 -9.42(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[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]-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC)NC(=O)C1=C2CN(CCCN2C(=N1)C3(C=CC=CC3C(=O)O)F)C

DOS

IR

Vibrations