Geometry & MOs

Info

ID:	270194
PubChem CID:	103633386
Reduced:	BrSN2O4C12H17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	341.96379
ΔH_f, kcal/mol:	-150.55
Dipole, Da:	3.52
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-bromothiophen-2-yl)ethylamino]-3,5-difluorobenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)NCCCNS(=O)(=O)C

DOS

IR

Vibrations