Geometry & MOs

Info

ID:	142903
PubChem CID:	53112326
Reduced:	ClN2S2O4C18H21 (1)
Stoich.:	AB2C2D4E18F21 (1)
Weight, g/mol:	456.0177
ΔH_f, kcal/mol:	-123.64
Dipole, Da:	7.99
IP(EA), eV:	-9.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3)Cl

DOS

IR

Vibrations