Geometry & MOs

Info

ID:	224802
PubChem CID:	85355379
Reduced:	NSiO6C24H37 (1)
Stoich.:	ABC6D24E37 (1)
Weight, g/mol:	927.687159
ΔH_f, kcal/mol:	-318.08
Dipole, Da:	4.07
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminohexanoylamino)-2-[[[2-[3,4-dihydroxy-2-(hydroxymethyl)-5-(tetradecanoylamino)piperidin-1-yl]acetyl]amino]methyl]-3-hydroxy-6-methoxyoxan-4-yl] tetradecanoate

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

CC1C(C(NC1=O)(C(C(C)C)OC(=O)C2=CC=CC=C2)C(=O)OC)O[Si](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

CC1C(C(NC1=O)(C(C(C)C)OC(=O)C2=CC=CC=C2)C(=O)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):