Geometry & MOs

Info

ID:	385942
PubChem CID:	134980371
Reduced:	SiO4C31H54 (1)
Stoich.:	AB4C31D54 (1)
Weight, g/mol:	332.235145
ΔH_f, kcal/mol:	-173.98
Dipole, Da:	6.47
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,5R,8E,12R,13R,16R)-3,5,9,12,13-pentamethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadec-8-ene-16-carbaldehyde

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

CCC/C=C/[C@@H](C)[C@@H]1[C@@H](/C=C/[C@H]([C@H](/C=C/CCC(=C)[C@@H](CC(=O)O1)C)OCOCC[Si](C)(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

CCC/C=C/[C@@H](C)[C@@H]1[C@@H](/C=C/[C@H]([C@H](/C=C/CCC(=C)[C@@H](CC(=O)O1)C)OCOCC[Si](C)(C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):