Geometry & MOs

Info

ID:	78320
PubChem CID:	49684452
Reduced:	FSO2N4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	352.102768
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	3.85
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNS(=O)(=O)C2=CC=C(C=C2)F)C3=NC=CC=N3

DOS

IR

Vibrations