Geometry & MOs

Info

ID:	214388
PubChem CID:	84981824
Reduced:	FSO2N5C20H28 (1)
Stoich.:	ABC2D5E20F28 (1)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	4.44
IP(EA), eV:	-8.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-3-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]butanamide

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)F

DOS

IR

Vibrations