Geometry & MOs

Info

ID:	344445
PubChem CID:	127267621
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	26.74
Dipole, Da:	4.83
IP(EA), eV:	-9.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C)C

DOS

IR

Vibrations