Geometry & MOs

Info

ID:	408388
PubChem CID:	135081154
Reduced:	NSO5C10H19 (1)
Stoich.:	ABC5D10E19 (1)
Weight, g/mol:	231.96992
ΔH_f, kcal/mol:	-228.57
Dipole, Da:	4.17
IP(EA), eV:	-8.62(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(3,3-difluoroprop-1-enyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C[S@@](=O)C)C(=O)OC

DOS

IR

Vibrations