Geometry & MOs

Info

ID:

220127

PubChem CID:

85165274

Reduced:

Cl2O6N10H26C27 (1)

Stoich.:

A2B6C10D26E27 (1)

Weight, g/mol:

657.250688

ΔHf, kcal/mol:

-128.24

Dipole, Da:

5.44

IP(EA), eV:

 -9.3(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[22-(hydroxymethyl)-17-(1H-imidazol-5-ylmethyl)-3,6,9,15,18,21-hexaoxo-1,4,7,10,13,16-hexazatetracyclo[14.2.2.24,7.210,13]tetracos-11-en-5-yl]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCNC(=O)C1C2C(C(O1)N3C=NC4=C3N=CN=C4N(C(=O)NC5=NC=C(C=C5)Cl)C(=O)NC6=NC=C(C=C6)Cl)OC(O2)(C)C

DOS

IR

Vibrations