Geometry & MOs

Info

ID:	222473
PubChem CID:	85300839
Reduced:	NO6C17H23 (1)
Stoich.:	AB6C17D23 (1)
Weight, g/mol:	337.035497
ΔH_f, kcal/mol:	-197.05
Dipole, Da:	3.88
IP(EA), eV:	-10.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]thiourea

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2C=CCC3(C2C1CC3)[N+](=O)[O-])C(=O)OCC

DOS

IR

Vibrations