Geometry & MOs

Info

ID:	366548
PubChem CID:	127320064
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	368.115441
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	4.94
IP(EA), eV:	-9.46(0.34)
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-(5-methyl-1,2-oxazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C(=O)C(C)C#N

DOS

IR

Vibrations