Geometry & MOs

Info

ID:	140723
PubChem CID:	52747056
Reduced:	O2S2N5C21H29 (1)
Stoich.:	A2B2C5D21E29 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-44.78
Dipole, Da:	6.38
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CS3)C

DOS

IR

Vibrations