Geometry & MOs

Info

ID:

446189

PubChem CID:

135273030

Reduced:

ON5C16H29 (2)

Stoich.:

AB5C16D29 (2)

Weight, g/mol:

1411.584255

ΔHf, kcal/mol:

-75.79

Dipole, Da:

4.56

IP(EA), eV:

 -8.49(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(4R,7S,10S,13S,19S,22S,25S,28R)-7,10,13,19,22-pentakis[3-(diaminomethylideneamino)propyl]-32,33,34,35-tetrafluoro-5,6,9,12,17,20,23,26,27-nonaoxo-4,28-bis(sulfanylmethyl)-2,30-dithia-3,8,11,14,15,18,21,24,29-nonazabicyclo[29.2.2]pentatriaconta-1(33),31,34-trien-25-yl]propyl]guanidine

Drug info:

PubChemData

Smile

CCCCNC1=NC(=NC(=C1CCCN(C)CCOC)C)NC(CCC)NC2=NC(=NC(=C2CCCN3CCOCC3)C)N

DOS

IR

Vibrations