Geometry & MOs

Info

ID:

215047

PubChem CID:

85084054

Reduced:

O5C19H31 (2)

Stoich.:

A5B19C31 (2)

Weight, g/mol:

678.445532

ΔHf, kcal/mol:

-464.79

Dipole, Da:

1.76

IP(EA), eV:

 -8.81(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7,10-dihydroxy-2-[6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-propyl-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CCC1C(C(CC(=CC=CC(C(OC(=O)C(=CC=CC(C1O)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C=CC)C)O)O)O)OC)C)C)O

DOS

IR

Vibrations