Geometry & MOs

Info

ID:

47193

PubChem CID:

10530584

Reduced:

N2O8C29H40 (1)

Stoich.:

A2B8C29D40 (1)

Weight, g/mol:

544.247441

ΔHf, kcal/mol:

-360.85

Dipole, Da:

7.52

IP(EA), eV:

 -9.7(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,12R,15R,23R)-16-acetyl-12-benzyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]([C@@H]2[C@H]([C@H]1OC(=O)[C@@H]3CCCC[C@@H]3NC(=O)C4=CC=CC=C4)OC5(O2)CCCCC5)OCOC

DOS

IR

Vibrations