Geometry & MOs

Info

ID:

180258

PubChem CID:

76604762

Reduced:

N2O13C46H66 (1)

Stoich.:

A2B13C46D66 (1)

Weight, g/mol:

1000.415117

ΔHf, kcal/mol:

-538.42

Dipole, Da:

4.98

IP(EA), eV:

 -9.04(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-acetyloxy-18-[3-(3-fluoropyridin-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-4-[[3-[methyl(methylsulfonyl)amino]azetidin-1-yl]methyl]-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate

Drug info:

PubChemData

Smile

CC1=C2C3C(C4(CCC5C(C4C(C(C2(C)C)(CC1OC(=O)C(C(C(C)(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO5)OC(=O)C)C)OC(O3)CN7CCC7

DOS

IR

Vibrations