Geometry & MOs

Info

ID:	347539
PubChem CID:	127272394
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	380.115441
ΔH_f, kcal/mol:	-134.14
Dipole, Da:	4.73
IP(EA), eV:	-9.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCOCC2)C(=O)COC3=CN=CC=C3

DOS

IR

Vibrations