Geometry & MOs

Info

ID:

223089

PubChem CID:

85334496

Reduced:

N13O14C56H77 (1)

Stoich.:

A13B14C56D77 (1)

Weight, g/mol:

1155.501162

ΔHf, kcal/mol:

-578.95

Dipole, Da:

17.59

IP(EA), eV:

 -8.69(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl) 2-(3,4-dimethoxyphenyl)-3-(2-methyl-3-phenylprop-2-enoyl)-4-phenyl-1,3-oxazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations