Geometry & MOs

Info

ID:

325604

PubChem CID:

126684150

Reduced:

N6C13H16 (1)

Stoich.:

A6B13C16 (1)

Weight, g/mol:

763.390476

ΔHf, kcal/mol:

118.9

Dipole, Da:

5.07

IP(EA), eV:

-9.2(-0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[4-(benzotriazol-1-ylmethyl)triazol-1-yl]methyl]-6-[[(1S,3R)-5-(dimethylamino)-4-hydroxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)CN1C=C(N=N1)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations