Geometry & MOs

Info

ID:	150040
PubChem CID:	53789725
Reduced:	SO4N5C25H27 (1)
Stoich.:	AB4C5D25E27 (1)
Weight, g/mol:	293.104338
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	4.49
IP(EA), eV:	-8.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[amino-(2-chloro-6-cyanoanilino)methylidene]-3-tert-butylurea

Drug info:

PubChemData

Smile

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)NC(=O)C3=CN=CN3)C4=CC(=C(C=C4)OC)OCC

DOS

IR

Vibrations