Geometry & MOs

Info

ID:	157727
PubChem CID:	56436810
Reduced:	F2N2O5C21H22 (1)
Stoich.:	A2B2C5D21E22 (1)
Weight, g/mol:	453.123753
ΔH_f, kcal/mol:	-213.29
Dipole, Da:	5.11
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-chloro-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)CCCOC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations