Geometry & MOs

Info

ID:	172427
PubChem CID:	75509239
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-106.02
Dipole, Da:	4.61
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(5-methyl-6-oxo-1H-pyridin-3-yl)urea

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCCCCC1CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations