Geometry & MOs

Info

ID:	436505
PubChem CID:	135204657
Reduced:	SN2O4C8H14 (1)
Stoich.:	AB2C4D8E14 (1)
Weight, g/mol:	394.125275
ΔH_f, kcal/mol:	-127.19
Dipole, Da:	6.3
IP(EA), eV:	-10.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)COS(=O)(=O)C

DOS

IR

Vibrations