Geometry & MOs

Info

ID:	171540
PubChem CID:	75391230
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	3.83
IP(EA), eV:	-9.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpyrazol-4-yl)-N-(4-methylcyclohexyl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC(=O)CC(C=C)C2=CC=CC=C2

DOS

IR

Vibrations