Geometry & MOs

Info

ID:

223289

PubChem CID:

85334802

Reduced:

N16O21C66H108 (1)

Stoich.:

A16B21C66D108 (1)

Weight, g/mol:

1466.573405

ΔHf, kcal/mol:

-1022.4

Dipole, Da:

5.9

IP(EA), eV:

 -9.26(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-[3-[3-(1,3-dihydroxypropan-2-ylamino)-1-hydroxypropyl]-11,20,25-trihydroxy-15-(1-hydroxyethyl)-18-[[4-[2-[4-[4-(5-methoxypentoxy)piperidin-1-yl]phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoyl]amino]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)O)NC(=O)C3CCCN3C(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)N

DOS

IR

Vibrations