Geometry & MOs

Info

ID:	166221
PubChem CID:	74651266
Reduced:	SN2O3C10H15 (2)
Stoich.:	AB2C3D10E15 (2)
Weight, g/mol:	474.174848
ΔH_f, kcal/mol:	-227.19
Dipole, Da:	3.17
IP(EA), eV:	-9.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[3-methyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations