Geometry & MOs

Info

ID:	44915
PubChem CID:	10506507
Reduced:	NSiO2C35H41 (1)
Stoich.:	ABC2D35E41 (1)
Weight, g/mol:	535.12056
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	2.31
IP(EA), eV:	-9.1(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(1R,4S,5R,8R,10S,12R,13R)-9-bromo-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethyl]isoindole-1,3-dione

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=CC=C1C(=O)N(CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(C)(C)C4=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

CC1=CC=CC=C1C(=O)N(CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(C)(C)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):