Geometry & MOs

Info

ID:	264941
PubChem CID:	103504303
Reduced:	NOSC7H12 (2)
Stoich.:	ABCD7E12 (2)
Weight, g/mol:	302.11227
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	6.39
IP(EA), eV:	-9.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)S(=O)(=O)C2=CC(=CS2)CNC

DOS

IR

Vibrations