Geometry & MOs

Info

ID:	368617
PubChem CID:	127329667
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	399.092263
ΔH_f, kcal/mol:	-88.64
Dipole, Da:	2.97
IP(EA), eV:	-8.45(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1CC(=O)NC(=O)NC3=C(C=C(C=C3)C)C

DOS

IR

Vibrations