Geometry & MOs

Info

ID:

376180

PubChem CID:

134222185

Reduced:

ClON2F3H26C27 (1)

Stoich.:

ABC2D3E26F27 (1)

Weight, g/mol:

826.393513

ΔHf, kcal/mol:

-164.4

Dipole, Da:

2.88

IP(EA), eV:

 -9.46(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,7R,8R,9R,11R,14Z,15R,18S,19R)-8-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-5,7,9,11,19-pentamethyl-14-[(1S)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)ethoxy]imino-3,17-dioxa-13-azatricyclo[10.5.2.015,18]nonadec-12-ene-4,6,16-trione

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)/C=C/C(C3=CC(=C(C(=C3)C)Cl)C)C(F)(F)F)C

DOS

IR

Vibrations