Geometry & MOs

Info

ID:	196650
PubChem CID:	78858354
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	409.084475
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	2.6
IP(EA), eV:	-9.34(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(CO)NC(=O)C1=CC=C(C=C1)/C=N/OC

DOS

IR

Vibrations