Geometry & MOs

Info

ID:

215418

PubChem CID:

85084703

Reduced:

N10O12C41H70 (1)

Stoich.:

A10B12C41D70 (1)

Weight, g/mol:

895.377906

ΔHf, kcal/mol:

-616.97

Dipole, Da:

11.67

IP(EA), eV:

 -9.27(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C2CCCN2

DOS

IR

Vibrations