Geometry & MOs

Info

ID:	347208
PubChem CID:	127271749
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	387.19582
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	8.45
IP(EA), eV:	-9.04(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)N(C)C2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations