Geometry & MOs

Info

ID:	269464
PubChem CID:	103617568
Reduced:	BrFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	382.86077
ΔH_f, kcal/mol:	-89.65
Dipole, Da:	2.89
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations