Geometry & MOs

Info

ID:	204318
PubChem CID:	79946331
Reduced:	BrNOS2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	354.98533
ΔH_f, kcal/mol:	-22.48
Dipole, Da:	1.5
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCCCSC)Br

DOS

IR

Vibrations