Geometry & MOs

Info

ID:

176051

PubChem CID:

75988713

Reduced:

O7N11C49H57 (1)

Stoich.:

A7B11C49D57 (1)

Weight, g/mol:

878.411546

ΔHf, kcal/mol:

-203.43

Dipole, Da:

2.15

IP(EA), eV:

 -8.39(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[12-(1H-indol-3-ylmethyl)-19-(naphthalen-2-ylmethyl)-2,8,11,14,17,20-hexaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.8.0.03,7.023,28]nonacosa-23,25,27-triene-15,1'-cyclopentane]-9-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N4CC5=CC=CC=C5CC4C(=O)NC(C(=O)N2)CC6=CNC7=C6C=CC(=C7)O)CCCN=C(N)N)CC8=CNC9=CC=CC=C98

DOS

IR

Vibrations