Geometry & MOs

Info

ID:

189718

PubChem CID:

77894609

Reduced:

NO3C13H15 (1)

Stoich.:

AB3C13D15 (1)

Weight, g/mol:

783.441627

ΔHf, kcal/mol:

-70.73

Dipole, Da:

1.61

IP(EA), eV:

 -9.6(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1-(cyclopropylamino)-7,7-difluoro-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC1C(N=C(O1)C2=CC=CC=C2)C3OC(O3)C

DOS

IR

Vibrations