Geometry & MOs

Info

ID:	228929
PubChem CID:	87566263
Reduced:	SF3N3O5C16H20 (1)
Stoich.:	AB3C3D5E16F20 (1)
Weight, g/mol:	459.230411
ΔH_f, kcal/mol:	-316.96
Dipole, Da:	7.28
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(6-methylpyridin-3-yl)amino]formamide

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CN(N=C2)CC(=O)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations