Geometry & MOs

Info

ID:	392475
PubChem CID:	135016863
Reduced:	SSiO7C22H36 (1)
Stoich.:	ABC7D22E36 (1)
Weight, g/mol:	499.293797
ΔH_f, kcal/mol:	-355.19
Dipole, Da:	10.67
IP(EA), eV:	-8.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,7aR,12bS)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-tert-butyl-dimethylsilane

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(C[C@@H](C(=O)C1)[C@]23COC(=O)C(=C2C[C@@H]3OS(=O)(=O)C)CO[Si](C)(C)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

CC1(C[C@@H](C(=O)C1)[C@]23COC(=O)C(=C2C[C@@H]3OS(=O)(=O)C)CO[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):