Geometry & MOs

Info

ID:	73001
PubChem CID:	48416783
Reduced:	SO3N5H11C12 (1)
Stoich.:	AB3C5D11E12 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	6.69
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-amino-4-cyanopyrazol-1-yl)-4-oxobutyl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations