Geometry & MOs

Info

ID:	173534
PubChem CID:	75649305
Reduced:	SO2N4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	246.104265
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	7.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767775
Charge, e:	1

Chem-info

IUPAC name:

2-fluoro-N'-(1-pyrrol-1-ium-2-ylideneethyl)benzohydrazide

Drug info:

PubChemData

Smile

CC1C(=C2C(=C(C(=N2)C)C(=O)OC)C)NNC(=[NH+]C3CCCCC3)S1

DOS

IR

Vibrations