Geometry & MOs

Info

ID:	207983
PubChem CID:	80476989
Reduced:	BrOSF2N2H9C12 (1)
Stoich.:	ABCD2E2F9G12 (1)
Weight, g/mol:	323.9932
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	2.28
IP(EA), eV:	-8.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1Br)CNC(=O)C2=CC(=C(C=C2N)F)F

DOS

IR

Vibrations