Geometry & MOs

Info

ID:	360384
PubChem CID:	127301029
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	380.026538
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	7.33
IP(EA), eV:	-9.71(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dichloro-1-benzothiophen-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations