Geometry & MOs

Info

ID:	139776
PubChem CID:	52594202
Reduced:	SF3O3N4C18H19 (1)
Stoich.:	AB3C3D4E18F19 (1)
Weight, g/mol:	394.119858
ΔH_f, kcal/mol:	-231.53
Dipole, Da:	6.85
IP(EA), eV:	-9.39(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-methylsulfonylphenyl)urea

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations