Geometry & MOs

Info

ID:	208015
PubChem CID:	80481480
Reduced:	BrFOSN2H12C15 (1)
Stoich.:	ABCDE2F12G15 (1)
Weight, g/mol:	362.00885
ΔH_f, kcal/mol:	16.12
Dipole, Da:	2.21
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminoprop-1-ynyl)-N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#CCN)F)C(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations