Geometry & MOs

Info

ID:	141386
PubChem CID:	52871680
Reduced:	ClFO2N3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	463.172976
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	7.5
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)F)Cl)C(=O)N

DOS

IR

Vibrations