Geometry & MOs

Info

ID:	137516
PubChem CID:	52218728
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	419.175753
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	3.6
IP(EA), eV:	-9.19(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)N(C3CC3)C(=O)CCNC(=O)C4=CC=CS4

DOS

IR

Vibrations