Geometry & MOs

Info

ID:	137941
PubChem CID:	52289039
Reduced:	O2F3N5C18H22 (1)
Stoich.:	A2B3C5D18E22 (1)
Weight, g/mol:	402.136176
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	4.13
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1S)-1-[(6-methylsulfonylpyridin-3-yl)carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1[C@H](CC2=CC(=CC=C2)OC)C(=O)N3CCC[C@H](C3)C(F)(F)F

DOS

IR

Vibrations