Geometry & MOs

Info

ID:

215601

PubChem CID:

85084967

Reduced:

S2O12N17C43H69 (1)

Stoich.:

A2B12C17D43E69 (1)

Weight, g/mol:

1080.356184

ΔHf, kcal/mol:

-503.34

Dipole, Da:

14.59

IP(EA), eV:

 -9.02(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-15-[2-[2-(4-aminophenyl)sulfonylethoxycarbonyloxy]-3-benzamido-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

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)N

DOS

IR

Vibrations