Geometry & MOs

Info

ID:

2046

PubChem CID:

5661

Reduced:

N3O7C27H35 (1)

Stoich.:

A3B7C27D35 (1)

Weight, g/mol:

513.2475

ΔHf, kcal/mol:

-203.67

Dipole, Da:

3.58

IP(EA), eV:

 -8.16(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-2(7),3,5-triene-16,22-dione

Drug info:

PubChemData

Smile

CC(=CC1N2C3C(CC(OO1)(C)C)N4C(=O)C5CCCN5C(=O)C4(C(C3C6=C2C=C(C=C6)OC)O)O)C

DOS

IR

Vibrations