Geometry & MOs

Info

ID:	440228
PubChem CID:	135230159
Reduced:	ClN2S2O5C25H27 (1)
Stoich.:	AB2C2D5E25F27 (1)
Weight, g/mol:	1085.299577
ΔH_f, kcal/mol:	-143.17
Dipole, Da:	0.93
IP(EA), eV:	-9.25(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-benzyl-4-N-[[4-[2-[[benzyl-[4-[benzyl(ethyl)sulfamoyl]phenyl]sulfonylamino]methyl]pyridin-4-yl]phenyl]methyl]-1-N-ethyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-disulfonamide

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

C1CCC(C1)N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)O

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

C1CCC(C1)N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):