Geometry & MOs

Info

ID:	243594
PubChem CID:	99233210
Reduced:	ClSN2O3C16H23 (1)
Stoich.:	ABC2D3E16F23 (1)
Weight, g/mol:	394.198046
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	9.58
IP(EA), eV:	-9.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]-1-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCCN1C(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations