Geometry & MOs

Info

ID:	176308
PubChem CID:	76031884
Reduced:	Si2O5C23H44 (1)
Stoich.:	A2B5C23D44 (1)
Weight, g/mol:	546.03007
ΔH_f, kcal/mol:	-307.5
Dipole, Da:	3.43
IP(EA), eV:	-8.92(0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-(5-bromofuran-2-yl)-12,14-dimethyl-13,15-dioxo-17-phenyl-8-oxa-1,14-diaza-12-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,9,11,16-hexaene-4-carboxylic acid

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

CC(C)(C)[Si](C)(C)OC(CC#C)C(C(C=C)O[Si](C)(C)C(C)(C)C)OCCC(=O)O

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

CC(C)(C)[Si](C)(C)OC(CC#C)C(C(C=C)O[Si](C)(C)C(C)(C)C)OCCC(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):