Geometry & MOs

Info

ID:

185180

PubChem CID:

77266479

Reduced:

Cl2O3N5C28H43 (1)

Stoich.:

A2B3C5D28E43 (1)

Weight, g/mol:

690.389354

ΔHf, kcal/mol:

-169.27

Dipole, Da:

5.84

IP(EA), eV:

 -9.23(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CC(CNC1)C(=O)N2CCOCC2)C(=O)C3=NC4=CC=CC=C4N3CCCC5CC5.Cl.Cl

DOS

IR

Vibrations