Geometry & MOs

Info

ID:

11992

PubChem CID:

125709

Reduced:

SN5O5C27H30 (2)

Stoich.:

AB5C5D27E30 (2)

Weight, g/mol:

1072.393531

ΔHf, kcal/mol:

-324.76

Dipole, Da:

7.99

IP(EA), eV:

 -8.38(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,20-bis(acridin-9-ylamino)-4,17-dimethyl-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontane-3,6,10,13,16,19,23,26-octone

Drug info:

PubChemData

Smile

CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)OCC(C(=O)N1)NC3=C4C=CC=CC4=NC5=CC=CC=C53)C(C)C)NC(=O)C(NC(=O)C(COC(=O)C(NC2=O)C(C)C)NC6=C7C=CC=CC7=NC8=CC=CC=C86)C

DOS

IR

Vibrations