Geometry & MOs

Info

ID:

313780

PubChem CID:

126617578

Reduced:

ClSF2N4O6H27C28 (1)

Stoich.:

ABC2D4E6F27G28 (1)

Weight, g/mol:

587.084174

ΔHf, kcal/mol:

-272.66

Dipole, Da:

6.55

IP(EA), eV:

 -9.3(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-carbamoyl-1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C(=O)NS(=O)(=O)C3CC3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=C(C(=CC=C5)Cl)F)F

DOS

IR

Vibrations