Geometry & MOs

Info

ID:	290084
PubChem CID:	104407802
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	369.05105
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	5.18
IP(EA), eV:	-8.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC2=CC(=NC=C2)C(=S)N

DOS

IR

Vibrations