Geometry & MOs

Info

ID:

190932

PubChem CID:

78079648

Reduced:

O13C27H36 (1)

Stoich.:

A13B27C36 (1)

Weight, g/mol:

1127.490991

ΔHf, kcal/mol:

-510.81

Dipole, Da:

4.04

IP(EA), eV:

 -9.65(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-15-[3-benzamido-2-[2,2-dimethylpropanoyloxy-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC12CCC3(C(=O)OC(CC3(C1CC4C(C2(C(=O)OC)OC5C(C(C(C(O5)CO)O)O)O)O4)C)C6=COC=C6)O

DOS

IR

Vibrations