Geometry & MOs

Info

ID:	73146
PubChem CID:	48417081
Reduced:	OSCl2H4N4C9 (1)
Stoich.:	ABC2D4E4F9 (1)
Weight, g/mol:	346.117824
ΔH_f, kcal/mol:	68.51
Dipole, Da:	4.62
IP(EA), eV:	-9.43(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

C1=C(SC(=C1C(=O)N2C(=C(C=N2)C#N)N)Cl)Cl

DOS

IR

Vibrations