Geometry & MOs

Info

ID:

313171

PubChem CID:

126612363

Reduced:

SO3N9C30H35 (1)

Stoich.:

AB3C9D30E35 (1)

Weight, g/mol:

610.227472

ΔHf, kcal/mol:

21.11

Dipole, Da:

4.87

IP(EA), eV:

 -8.26(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)C2=CC3=C(NN=C3S2)N4CCOCC4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7

DOS

IR

Vibrations