Geometry & MOs

Info

ID:

84961

PubChem CID:

49870939

Reduced:

NPO10C17H22 (1)

Stoich.:

ABC10D17E22 (1)

Weight, g/mol:

1261.648197

ΔHf, kcal/mol:

-414.09

Dipole, Da:

6.66

IP(EA), eV:

 -9.91(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2S,5S,8R,11S,14S,17S,20S,23S)-11-benzyl-14,23-bis[3-(diaminomethylideneamino)propyl]-5,8-bis(1H-imidazol-5-ylmethyl)-17,20-bis(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]propyl]guanidine

Drug info:

PubChemData

Smile

CC(C)C(=O)OCOP(=O)(C1=CC=C(O1)C2=CC(=O)ON2)OCOC(=O)C(C)C

DOS

IR

Vibrations