Geometry & MOs

Info

ID:	229461
PubChem CID:	87567716
Reduced:	FNOS2C21H22 (1)
Stoich.:	ABCD2E21F22 (1)
Weight, g/mol:	371.99376
ΔH_f, kcal/mol:	1.05
Dipole, Da:	2.94
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CSC=C4)/C3)S

DOS

IR

Vibrations