Geometry & MOs

Info

ID:

215274

PubChem CID:

85084463

Reduced:

N9O9C38H63 (1)

Stoich.:

A9B9C38D63 (1)

Weight, g/mol:

789.466327

ΔHf, kcal/mol:

-449.24

Dipole, Da:

8.72

IP(EA), eV:

 -9.38(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,14,25-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23-methoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Drug info:

PubChemData

Smile

CCCCC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations