Geometry & MOs

Info

ID:

176050

PubChem CID:

75988617

Reduced:

F7N8O8C72H87 (1)

Stoich.:

A7B8C8D72E87 (1)

Weight, g/mol:

911.444243

ΔHf, kcal/mol:

-631.47

Dipole, Da:

4.47

IP(EA), eV:

 -8.88(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[18-[(6-hydroxy-1H-indol-3-yl)methyl]-12-(1H-indol-3-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]propyl]guanidine

Drug info:

PubChemData

Smile

CN(CCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)CCCCCN4CCCN(CC4)C(=O)CCCN(C)C(=O)COC5CC6=CC=CC=C6C57CCN(CC7)CCC8(CN(CO8)C(=O)C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F)C1=CC=C(C=C1)F

DOS

IR

Vibrations