Geometry & MOs

Info

ID:

400588

PubChem CID:

135048430

Reduced:

N2O9C30H32 (1)

Stoich.:

A2B9C30D32 (1)

Weight, g/mol:

808.378649

ΔHf, kcal/mol:

-288.05

Dipole, Da:

7.99

IP(EA), eV:

 -8.76(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyphenyl]-1-[(1R,12S)-8-methyl-13-oxo-9-prop-2-enoxy-4,6,14-trioxa-16-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2,7,9-trien-16-yl]-1-oxopropan-2-yl]but-3-enamide

Drug info:

PubChemData

Smile

CC1=C2C(=C3[C@@H](N4[C@@H](CC3=C1OCC=C)[C@H]5C6=C(C(=C(C=C6C[C@@H](C4=O)N5C(=O)CC=C)O)OC)O)CO)OCO2

DOS

IR

Vibrations