Geometry & MOs

Info

ID:	208013
PubChem CID:	80481478
Reduced:	BrOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	365.98377
ΔH_f, kcal/mol:	40.66
Dipole, Da:	3.2
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminoprop-1-ynyl)-N-[(3-bromothiophen-2-yl)methyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#CCN)C(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations