Geometry & MOs

Info

ID:

181337

PubChem CID:

76732477

Reduced:

ClN5O7C40H46 (1)

Stoich.:

AB5C7D40E46 (1)

Weight, g/mol:

559.290703

ΔHf, kcal/mol:

-259.34

Dipole, Da:

5.8

IP(EA), eV:

 -9.24(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]-3-(3-methylimidazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)N4CCC5(CC4)C(=O)N(CN5C6=CC=CC=C6)CC(=O)OC

DOS

IR

Vibrations