Geometry & MOs

Info

ID:

223038

PubChem CID:

85334129

Reduced:

N4O4C24H31 (2)

Stoich.:

A4B4C24D31 (2)

Weight, g/mol:

993.338326

ΔHf, kcal/mol:

-327.85

Dipole, Da:

9.19

IP(EA), eV:

 -8.24(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-benzamido-3-[(4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-3-oxo-1-phenylpropan-2-yl] 2,3-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NCCCNC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)NC(=O)CNC(=O)C(C)N

DOS

IR

Vibrations