Geometry & MOs

Info

ID:

391430

PubChem CID:

135004993

Reduced:

N2O11C40H62 (1)

Stoich.:

A2B11C40D62 (1)

Weight, g/mol:

417.189986

ΔHf, kcal/mol:

-545.1

Dipole, Da:

6.41

IP(EA), eV:

 -9.48(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,16R,18R,21S)-21-hydroxy-16-(hydroxymethyl)-13-methoxy-12,20-dimethyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1[C@@H](C(C([C@@H](O1)N(C=O)[C@H](CC2=CC=CC=C2)C(=O)NC(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations