Geometry & MOs

Info

ID:	392828
PubChem CID:	135018130
Reduced:	F2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	548.186632
ΔH_f, kcal/mol:	-250.96
Dipole, Da:	5.33
IP(EA), eV:	-9.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-[[(2R)-3-methoxy-3-oxo-2-[[(E)-4-trimethylsilylbut-2-enoyl]amino]propyl]disulfanyl]-2-[[(E)-4-trimethylsilylbut-2-enoyl]amino]propanoate

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)CO/C(=C\O)/C([C@@H](COC(=O)C2=CC=CC=C2)O)(F)F

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)CO/C(=C\O)/C([C@@H](COC(=O)C2=CC=CC=C2)O)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):