Geometry & MOs

Info

ID:

437030

PubChem CID:

135213866

Reduced:

SN3C23H29 (1)

Stoich.:

AB3C23D29 (1)

Weight, g/mol:

914.488853

ΔHf, kcal/mol:

40.27

Dipole, Da:

3.69

IP(EA), eV:

-8.48(0.28)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[2-(2-azidoethoxy)ethoxy]-N-[(2S)-2-hydroxy-3-[(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,36S)-21-methoxy-14-methyl-8,15-dimethylidene-24-oxo-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-20-yl]propyl]propanamide

Drug info:

PubChemData

Smile

CN1CC2=CC=CC=C2CC1CNC(=S)NCCC3CC4=CC=CC=C4C3

DOS

IR

Vibrations