Geometry & MOs

Info

ID:	361752
PubChem CID:	127304568
Reduced:	NSO4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-198.01
Dipole, Da:	3.62
IP(EA), eV:	-9.81(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CCC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations