Geometry & MOs

Info

ID:	400826
PubChem CID:	135049175
Reduced:	NSiO4C31H41 (1)
Stoich.:	ABC4D31E41 (1)
Weight, g/mol:	593.371011
ΔH_f, kcal/mol:	-162.27
Dipole, Da:	8.25
IP(EA), eV:	-8.78(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-1-[(E)-1-dibutylboranyloxyprop-1-enoxy]-1-phenylpropan-2-yl]-N-methyl-1,2,3,4,5,6,7,8-octahydroanthracene-9-sulfonamide

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

C[C@H]1C2C(NC(=O)C23[C@@H](/C=C/CCC(=O)C/C=C/[C@H]3OC(=O)C)C=C1C[Si](C)(C)C)CC4=CC=CC=C4

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

C[C@H]1C2C(NC(=O)C23[C@@H](/C=C/CCC(=O)C/C=C/[C@H]3OC(=O)C)C=C1C[Si](C)(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):