Geometry & MOs

Info

ID:	73340
PubChem CID:	48417473
Reduced:	SO3N6C12H12 (1)
Stoich.:	AB3C6D12E12 (1)
Weight, g/mol:	312.133474
ΔH_f, kcal/mol:	0.94
Dipole, Da:	5.03
IP(EA), eV:	-9.49(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CN(CC(=O)N1C(=C(C=N1)C#N)N)S(=O)(=O)C2=CN=CC=C2

DOS

IR

Vibrations