Geometry & MOs

Info

ID:	58457
PubChem CID:	24701871
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	267.120547
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	4.36
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC(=C2)C(=S)N)O

DOS

IR

Vibrations