Geometry & MOs

Info

ID:

186747

PubChem CID:

77478141

Reduced:

ClN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

665.378849

ΔHf, kcal/mol:

-141.77

Dipole, Da:

7.92

IP(EA), eV:

 -9.24(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl N-[1-[8-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-(3-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CC3)C(=O)C(=O)NN)CC(=NO2)C4=CC(=CC=C4)Cl)NC(=O)C5CC5C6=CC=CC=C6

DOS

IR

Vibrations