Geometry & MOs

Info

ID:	306281
PubChem CID:	125003536
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	432.108996
ΔH_f, kcal/mol:	36.63
Dipole, Da:	7.22
IP(EA), eV:	-9.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]-6-methylpyridin-4-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=NN12)C(=O)N3CCC[C@H](C3)C4=NC=C(S4)C)C

DOS

IR

Vibrations