Geometry & MOs

Info

ID:	175407
PubChem CID:	75899737
Reduced:	SN3O4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-95.4
Dipole, Da:	12.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865176
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=CS1)C[NH+]2CCCC2C(=O)NCC3=CC=CO3

DOS

IR

Vibrations