Geometry & MOs

Info

ID:	227680
PubChem CID:	87562214
Reduced:	ClNPSF2O4H17C21 (1)
Stoich.:	ABCDE2F4G17H21 (1)
Weight, g/mol:	737.28333
ΔH_f, kcal/mol:	-255.19
Dipole, Da:	4.39
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

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

C1COP(=O)(OC1)C(C2=CSC3=C2C=C(C=C3)Cl)C(=O)N/C=C/C4=C(C=CC=C4F)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

C1COP(=O)(OC1)C(C2=CSC3=C2C=C(C=C3)Cl)C(=O)N/C=C/C4=C(C=CC=C4F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):