Geometry & MOs

Info

ID:

52721

PubChem CID:

12015774

Reduced:

N5O6C43H55 (1)

Stoich.:

A5B6C43D55 (1)

Weight, g/mol:

488.242356

ΔHf, kcal/mol:

-227.81

Dipole, Da:

4.27

IP(EA), eV:

 -8.38(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19S)-19-ethyl-19-hydroxy-10-[(2-piperidin-1-ylethylamino)methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

C[C@@H](C1=CNC2=CC=CC=C21)[C@H](C(=O)N[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)NC(=O)C4CCCN(C4)CC5=CC=CC=C5

DOS

IR

Vibrations