Geometry & MOs

Info

ID:

329592

PubChem CID:

126738740

Reduced:

N5O7C37H63 (1)

Stoich.:

A5B7C37D63 (1)

Weight, g/mol:

1023.98572

ΔHf, kcal/mol:

-356.07

Dipole, Da:

4.59

IP(EA), eV:

 -9.15(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,20-bis[(E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@H]([C@H]([C@@H]1CCCN1C(=O)C[C@H]([C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC)O)OC)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O

DOS

IR

Vibrations