Geometry & MOs

Info

ID:

414990

PubChem CID:

135087970

Reduced:

N3O3C17H21 (1)

Stoich.:

A3B3C17D21 (1)

Weight, g/mol:

597.316249

ΔHf, kcal/mol:

-91.67

Dipole, Da:

4.42

IP(EA), eV:

 -9.09(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,10S,13S,16S,19S,23S)-16-benzyl-3-(cyclobutanecarbonyl)-23-hydroxy-12,13-dimethyl-22-oxa-3,6,12,15,18-pentazatricyclo[17.3.1.06,10]tricosane-5,11,14,17-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CC3=CC=CC=C3O

DOS

IR

Vibrations