Geometry & MOs

Info

ID:	178633
PubChem CID:	76358536
Reduced:	NOF3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	413.086784
ΔH_f, kcal/mol:	-153.17
Dipole, Da:	3.33
IP(EA), eV:	-9.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C=C(C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations