Geometry & MOs

Info

ID:	260345
PubChem CID:	103189005
Reduced:	FSN3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	299.122297
ΔH_f, kcal/mol:	-21.85
Dipole, Da:	7.21
IP(EA), eV:	-8.33(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarbothioamide

Drug info:

PubChemData

Smile

CCN(C1=C(C(=CC=C1)F)C(=S)N)C(C)CN(C)C

DOS

IR

Vibrations