Geometry & MOs

Info

ID:	197033
PubChem CID:	78910882
Reduced:	BrSO2N3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	233.031063
ΔH_f, kcal/mol:	-41.67
Dipole, Da:	5.05
IP(EA), eV:	-8.31(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-(furan-2-ylmethylsulfanyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)S(=O)(=O)NN2CCN(CC2)C

DOS

IR

Vibrations