Geometry & MOs

Info

ID:

376505

PubChem CID:

134222522

Reduced:

O3N4C23H30 (2)

Stoich.:

A3B4C23D30 (2)

Weight, g/mol:

842.424813

ΔHf, kcal/mol:

-7.74

Dipole, Da:

14.18

IP(EA), eV:

 -8.26(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,7S,8R,9R,11R,14E,15R,18S,19R)-8-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,19-diethyl-6-hydroxy-9-methoxy-5,7,9,11-tetramethyl-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-4,16-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN(CCOC(=O)C(C)(C)CC)C1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)OC)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations