Geometry & MOs

Info

ID:	171556
PubChem CID:	75394075
Reduced:	FSN2O3C9H13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	328.044855
ΔH_f, kcal/mol:	-144.43
Dipole, Da:	3.59
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)NC1=C(C=CC=C1F)CO

DOS

IR

Vibrations