Geometry & MOs

Info

ID:

218020

PubChem CID:

85088757

Reduced:

NSO2C26H32 (1)

Stoich.:

ABC2D26E32 (1)

Weight, g/mol:

421.246847

ΔHf, kcal/mol:

-29.81

Dipole, Da:

2.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758728

Charge, e:

 0

Chem-info

IUPAC name:

4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine

Drug info:

PubChemData

Smile

CC12C(C=C(N1C(CO2)C(C)(C)C)O)C(C=C)[S+](C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations