Geometry & MOs

Info

ID:

181338

PubChem CID:

76732478

Reduced:

O4N7C30H37 (1)

Stoich.:

A4B7C30D37 (1)

Weight, g/mol:

620.311104

ΔHf, kcal/mol:

-89.81

Dipole, Da:

3.53

IP(EA), eV:

 -8.82(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=NC=C1CC(C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)N3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5)N

DOS

IR

Vibrations