Geometry & MOs

Info

ID:	141394
PubChem CID:	52873053
Reduced:	ClFSN2O3C17H18 (1)
Stoich.:	ABCD2E3F17G18 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	3.82
IP(EA), eV:	-9.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-[(1S,2R)-2-hydroxycyclohexyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CS(=O)(=O)NCCCNC(=O)C2=CC=CC=C2F)Cl

DOS

IR

Vibrations