Geometry & MOs

Info

ID:	369469
PubChem CID:	127333882
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	325.146013
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	7.56
IP(EA), eV:	-8.49(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NCC2=CC=CC=C2N3CCOCC3

DOS

IR

Vibrations