Geometry & MOs

Info

ID:	427040
PubChem CID:	135155167
Reduced:	SN3O4F5C28H34 (1)
Stoich.:	AB3C4D5E28F34 (1)
Weight, g/mol:	765.173247
ΔH_f, kcal/mol:	-407.97
Dipole, Da:	8.96
IP(EA), eV:	-9.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-aminopiperidin-1-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-5-(cyclohexyloxymethyl)thiophene-2-sulfonamide;2,2,2-trifluoroacetic 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

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)C(F)(F)F)(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

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)C(F)(F)F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):