Geometry & MOs

Info

ID:

215374

PubChem CID:

85084637

Reduced:

N4O5C22H28 (2)

Stoich.:

A4B5C22D28 (2)

Weight, g/mol:

855.89774

ΔHf, kcal/mol:

-410.52

Dipole, Da:

4.43

IP(EA), eV:

 -8.98(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,12,17-tribromo-5,7,11,18,22,24-hexahydroxy-13-(2-hydroxypentyl)-16-(2-hydroxypropyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1,3,5,7,10(28),11,13,15,17,19(27),21,23,25-tridecaene-9,20-dione

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C(CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations