Geometry & MOs

Info

ID:	440120
PubChem CID:	135230020
Reduced:	SN2H40C55 (1)
Stoich.:	AB2C40D55 (1)
Weight, g/mol:	834.658484
ΔH_f, kcal/mol:	284.47
Dipole, Da:	1.9
IP(EA), eV:	-7.02(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4S,5S)-2-(octanoyloxymethyl)-5-[8-(3-octyloxiran-2-yl)octanoyloxy]oxan-4-yl] 8-(3-octyloxiran-2-yl)octanoate

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

C1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC=C5)C6=CC(=CC=C6)N7C8=CC=CC=C8S(C9=CC=CC=C97)(C1=CC=CC=C1)C1=CC=CC=C1

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

C1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC=C5)C6=CC(=CC=C6)N7C8=CC=CC=C8S(C9=CC=CC=C97)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):