Geometry & MOs

Info

ID:	201166
PubChem CID:	79499677
Reduced:	OSN5C11H17 (1)
Stoich.:	ABC5D11E17 (1)
Weight, g/mol:	291.078996
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	2.6
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)urea

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)NC2=C(C=NN2)C(=S)N

DOS

IR

Vibrations