Geometry & MOs

Info

ID:

186454

PubChem CID:

77435469

Reduced:

N2O5C36H52 (1)

Stoich.:

A2B5C36D52 (1)

Weight, g/mol:

549.345424

ΔHf, kcal/mol:

-221.25

Dipole, Da:

2.61

IP(EA), eV:

 -9.33(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-2-(17-ethylidene-11,18-dihydroxy-4,12-dimethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl)-2-hydroxyacetamide

Drug info:

PubChemData

Smile

CC1CCOC2C1C3(CCC45CC46CCC(C(C6CCC5C3(C2O)C)(C)C)OC7CN(CCO7)C(=O)C8=CC=CC=N8)C

DOS

IR

Vibrations