Geometry & MOs

Info

ID:	371027
PubChem CID:	127341863
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	3.16
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-1,1-dioxo-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCCS(=O)(=O)CC2)C3=CC=CC=N3

DOS

IR

Vibrations