Geometry & MOs

Info

ID:	155097
PubChem CID:	56320683
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	-67.5
Dipole, Da:	6.55
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CO2)CCNC(=O)CSCC(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations