Geometry & MOs

Info

ID:	244277
PubChem CID:	99319647
Reduced:	F3O3N4C18H21 (1)
Stoich.:	A3B3C4D18E21 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-247.25
Dipole, Da:	2.75
IP(EA), eV:	-9.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-propylsulfonylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)CCNC(=O)OCC(F)(F)F

DOS

IR

Vibrations