Geometry & MOs

Info

ID:	306456
PubChem CID:	125011784
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	423.1289
ΔH_f, kcal/mol:	-11.86
Dipole, Da:	3.49
IP(EA), eV:	-9.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(3S)-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazol-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C2=NC=CN=C2[C@@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations