Geometry & MOs

Info

ID:	400163
PubChem CID:	135046138
Reduced:	NSi5C21H47 (1)
Stoich.:	AB5C21D47 (1)
Weight, g/mol:	543.228844
ΔH_f, kcal/mol:	-180.82
Dipole, Da:	0.57
IP(EA), eV:	-6.74(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(2S,5Z,13E)-2-hydroxy-13-(2-hydroxyethylidene)-12-(methoxycarbonylamino)-9-triethylsilyloxy-11-bicyclo[7.3.1]trideca-1(12),5,10-trien-3,7-diynyl] carbonate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C(=C1)C)[Si](N([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C(=C1)C)[Si](N([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):