Geometry & MOs

Info

ID:	223433
PubChem CID:	85335038
Reduced:	ON2S2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	352.134697
ΔH_f, kcal/mol:	-7.48
Dipole, Da:	3.48
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(C(=O)N2)C3=CSC(=N3)CSC4=CC=CC=C4

DOS

IR

Vibrations