Geometry & MOs

Info

ID:	78498
PubChem CID:	49693364
Reduced:	FSN2O4C24H29 (1)
Stoich.:	ABC2D4E24F29 (1)
Weight, g/mol:	355.169605
ΔH_f, kcal/mol:	-193.72
Dipole, Da:	8.66
IP(EA), eV:	-9.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NCC2CCN(CC2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations