Geometry & MOs

Info

ID:	150138
PubChem CID:	53789825
Reduced:	N2S2O3H20C21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	171.96992
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	4.69
IP(EA), eV:	-8.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1,1-difluorobutane

Drug info:

PubChemData

Smile

CC1=C(SC2=C1CN(C=N2)C3=CC(=CC=C3)S(=O)(=O)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations