Geometry & MOs

Info

ID:

436993

PubChem CID:

135213572

Reduced:

N2S2O3C14H20 (1)

Stoich.:

A2B2C3D14E20 (1)

Weight, g/mol:

1257.580053

ΔHf, kcal/mol:

-90.94

Dipole, Da:

7.29

IP(EA), eV:

-9.03(-1.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-methyl-2-(methyldisulfanyl)propyl] N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[4-[[(2S)-2-hydroxy-3-[(1S,3S,14R,18S,21R,26R,29S,31R,32S,33R,35R,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]carbamoyloxymethyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCCC(C)NS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)OCC

DOS

IR

Vibrations