Geometry & MOs

Info

ID:	245242
PubChem CID:	99438007
Reduced:	FSO3N5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	476.189355
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	6.1
IP(EA), eV:	-9.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[(3R)-1-[3-[(4-methylphenyl)sulfonylamino]propanoyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)CN2C=NC3=C(C2=O)C=CS3)CNC(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations