Geometry & MOs

Info

ID:	176600
PubChem CID:	76070919
Reduced:	BrFS2N4O5C23H24 (1)
Stoich.:	ABC2D4E5F23G24 (1)
Weight, g/mol:	470.187339
ΔH_f, kcal/mol:	-152.11
Dipole, Da:	3.08
IP(EA), eV:	-8.64(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chlorophenyl)-3-phenylpropan-2-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)F)Br)C3=NC(=CS3)C(=O)OC)CN4CCS(=O)CC4

DOS

IR

Vibrations