Geometry & MOs

Info

ID:	130570
PubChem CID:	51091304
Reduced:	ClNSO5C14H16 (1)
Stoich.:	ABCD5E14F16 (1)
Weight, g/mol:	299.084081
ΔH_f, kcal/mol:	-174.94
Dipole, Da:	1.06
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)CS(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations