Geometry & MOs

Info

ID:	321994
PubChem CID:	126667693
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	486.103654
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	6.36
IP(EA), eV:	-9.59(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[5-(pentafluoro-lambda6-sulfanyl)-2-phenoxyphenyl]urea

Drug info:

PubChemData

Smile

C=CCO[C@H]1CCC[C@@H]1OC2=C(C=C(C=C2)CO)[N+](=O)[O-]

DOS

IR

Vibrations