Geometry & MOs

Info

ID:	367495
PubChem CID:	127324827
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	286.109962
ΔH_f, kcal/mol:	-135.35
Dipole, Da:	7.33
IP(EA), eV:	-9.32(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylpyrazol-3-yl)-3-(1,1-dioxothian-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CNC(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations