Geometry & MOs

Info

ID:	194991
PubChem CID:	78618073
Reduced:	SF2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	346.066166
ΔH_f, kcal/mol:	3.72
Dipole, Da:	5.59
IP(EA), eV:	-8.36(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[[(2-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=NNC(=S)NC3=CC=CC=C3F)C)F

DOS

IR

Vibrations