Geometry & MOs

Info

ID:	242821
PubChem CID:	99213218
Reduced:	SO3N4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	440.258754
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	9.23
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N(C)C4=CC=CC5=CC=CC=C54)[C@@H]6CCS(=O)(=O)C6

DOS

IR

Vibrations