Geometry & MOs

Info

ID:	128455
PubChem CID:	51044770
Reduced:	SO3N6C17H24 (1)
Stoich.:	AB3C6D17E24 (1)
Weight, g/mol:	455.112662
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	6.48
IP(EA), eV:	-9.53(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)CC2(CCCCC2)CN3C=NN=N3

DOS

IR

Vibrations