Geometry & MOs

Info

ID:	78501
PubChem CID:	49693387
Reduced:	FSO2N3C19H22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	389.130633
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	2.35
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)NCC2=CC=CS2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations