Geometry & MOs

Info

ID:	306258
PubChem CID:	125003362
Reduced:	SO3N5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	442.166826
ΔH_f, kcal/mol:	-89.6
Dipole, Da:	5.75
IP(EA), eV:	-8.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[(2S)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@@]2(CCCN(C2)C(=O)C3=CC(=CC=C3)N4CCCCS4(=O)=O)C)NC

DOS

IR

Vibrations