Geometry & MOs

Info

ID:	195592
PubChem CID:	78705459
Reduced:	N2O3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	390.025262
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	4.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779509
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-fluorophenoxy)propanehydrazide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCCCC3

DOS

IR

Vibrations