Geometry & MOs

Info

ID:	201029
PubChem CID:	79477059
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	322.097369
ΔH_f, kcal/mol:	-32.81
Dipole, Da:	7.98
IP(EA), eV:	-8.25(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CCC(C)CN(CC)C1=CC=C(S1)C=O

DOS

IR

Vibrations