Geometry & MOs

Info

ID:

46325

PubChem CID:

10523890

Reduced:

N3O4C21H23 (1)

Stoich.:

A3B4C21D23 (1)

Weight, g/mol:

381.168856

ΔHf, kcal/mol:

-93.97

Dipole, Da:

4.74

IP(EA), eV:

 -9.2(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,4R,5R,7R,11S,15S,23R)-4-amino-11-hydroxy-18-methoxy-6-oxa-8,16-diazaoctacyclo[10.10.1.01,15.02,7.04,15.05,12.08,23.017,22]tricosa-17(22),18,20-trien-3-one

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)O)O

DOS

IR

Vibrations