Geometry & MOs

Info

ID:	121242
PubChem CID:	50759958
Reduced:	FO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	472.214427
ΔH_f, kcal/mol:	7.08
Dipole, Da:	2.56
IP(EA), eV:	-8.57(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=NOC(=C3)C4=CN=CC=C4

DOS

IR

Vibrations