Geometry & MOs

Info

ID:	157666
PubChem CID:	56436371
Reduced:	FSN3O4C22H28 (1)
Stoich.:	ABC3D4E22F28 (1)
Weight, g/mol:	468.024824
ΔH_f, kcal/mol:	-190.55
Dipole, Da:	6.01
IP(EA), eV:	-9.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NCC1=CC(=CC=C1)S(=O)(=O)NCC2=CC(=CC=C2)F

DOS

IR

Vibrations