Geometry & MOs

Info

ID:	437869
PubChem CID:	135227208
Reduced:	PS2O7C19H25 (1)
Stoich.:	AB2C7D19E25 (1)
Weight, g/mol:	1094.390616
ΔH_f, kcal/mol:	-295.78
Dipole, Da:	2.27
IP(EA), eV:	-8.78(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylprop-2-enoyloxy)ethyl 4-[[3-diethoxyphosphoryl-1-[10-[3-diethoxyphosphoryl-3-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutyl]sulfanyl-2-thiabicyclo[2.2.1]hept-5-en-1-yl]decyl]-2-thiabicyclo[2.2.1]hept-5-en-3-yl]sulfanyl]butanoate

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

CCOP(=O)(C(=S)CSC1=CC=C(C=C1)C(=O)OCCOC(=O)C(=C)C)OCC

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

CCOP(=O)(C(=S)CSC1=CC=C(C=C1)C(=O)OCCOC(=O)C(=C)C)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):