Geometry & MOs

Info

ID:

325589

PubChem CID:

126684100

Reduced:

IN2C6H11 (1)

Stoich.:

AB2C6D11 (1)

Weight, g/mol:

1014.556539

ΔHf, kcal/mol:

45.36

Dipole, Da:

2.57

IP(EA), eV:

-8.52(-1.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2R,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[2-[(2R,4S,5R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxyethyl]-5,9,13-trimethyl-7-[2-(4-phenanthren-9-yltriazol-1-yl)ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione

Drug info:

PubChemData

Smile

C/C=C(\C=C/CI)/NN

DOS

IR

Vibrations