Geometry & MOs

Info

ID:	78318
PubChem CID:	49684439
Reduced:	BrSO2N3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	338.087118
ΔH_f, kcal/mol:	-21.52
Dipole, Da:	3.46
IP(EA), eV:	-8.52(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=N3

DOS

IR

Vibrations