Geometry & MOs

Info

ID:

176053

PubChem CID:

75988715

Reduced:

SO6N8C47H58 (1)

Stoich.:

AB6C8D47E58 (1)

Weight, g/mol:

861.453745

ΔHf, kcal/mol:

-203.34

Dipole, Da:

5.49

IP(EA), eV:

 -8.4(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(1-aminoethyl)-12-(1,2-dihydroquinolin-2-ylmethyl)-18-[(5-hydroxy-1H-indol-3-yl)methyl]spiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-2,8,11,14,17,20-hexone

Drug info:

PubChemData

Smile

CSCCC1C(=O)N2CCCC2C(=O)N3C4CCCCC4CC3C(=O)NC(C(=O)NC5(CCCC5)C(=O)NC(C(=O)N1)CC6=CNC7=CC=CC=C76)CC8=CNC9=CC=CC=C98

DOS

IR

Vibrations