Geometry & MOs

Info

ID:

176052

PubChem CID:

75988714

Reduced:

O7N8C50H54 (1)

Stoich.:

A7B8C50D54 (1)

Weight, g/mol:

862.420003

ΔHf, kcal/mol:

-211.56

Dipole, Da:

4.34

IP(EA), eV:

 -8.34(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12,18-bis(1H-indol-3-ylmethyl)-9-(2-methylsulfanylethyl)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

C1CCC2(C1)C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N4CC5=CC=CC=C5CC4C(=O)N(CC(=O)N2)CC6=CC7=CC=CC=C7C=C6)CCC(=O)N)CC8=CNC9=CC=CC=C98

DOS

IR

Vibrations