Geometry & MOs

Info

ID:

215618

PubChem CID:

85084992

Reduced:

IOC30H53 (2)

Stoich.:

ABC30D53 (2)

Weight, g/mol:

1095.71983

ΔHf, kcal/mol:

-273.13

Dipole, Da:

2.19

IP(EA), eV:

 -8.71(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6,12,17,23-tetrabromo-7,11,13,16,18,22-hexahydroxy-9,20-dioxo-24-(2-sulfooxypentyl)-5-octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16,18,21(26),22,24-tridecaenyl]propan-2-yl hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCC1CC2C(CC1CCCCCCCCCC)C(=O)C3C2C(C4C(C3I)C5CC(C(CC5C4=O)CCCCCCCCCC)CCCCCCCCCC)I

DOS

IR

Vibrations