Geometry & MOs

Info

ID:

168730

PubChem CID:

75010314

Reduced:

N11O12C62H109 (1)

Stoich.:

A11B12C62D109 (1)

Weight, g/mol:

897.324156

ΔHf, kcal/mol:

-621.99

Dipole, Da:

10.46

IP(EA), eV:

 -9.12(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-5-methyl-3-(thiophene-2-carbonylamino)hex-4-enoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 2,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(=C)C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

DOS

IR

Vibrations