Geometry & MOs

Info

ID:

224171

PubChem CID:

85339160

Reduced:

SN13O13C37H61 (1)

Stoich.:

AB13C13D37E61 (1)

Weight, g/mol:

927.349977

ΔHf, kcal/mol:

-600.66

Dipole, Da:

2.55

IP(EA), eV:

 -9.22(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5,13-diacetyloxy-16-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1-hydroxy-11,15,18,18-tetramethyl-10-(methylsulfanylmethoxy)-12-oxo-7-oxatetracyclo[12.3.1.04,11.05,8]octadec-14-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2

DOS

IR

Vibrations