Geometry & MOs

Info

ID:

415324

PubChem CID:

135088318

Reduced:

O2F3N4H17C19 (1)

Stoich.:

A2B3C4D17E19 (1)

Weight, g/mol:

606.316583

ΔHf, kcal/mol:

-160.64

Dipole, Da:

12.41

IP(EA), eV:

 -9.16(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,10S,13S,16S,19S,23S)-16-benzyl-23-hydroxy-12,13-dimethyl-3-(pyridin-4-ylmethyl)-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(=C2C=CC(=CC2=N1)C(F)(F)F)N3CCC4=C(C3)C(=NN4C)C(=O)O

DOS

IR

Vibrations