Geometry & MOs

Info

ID:	377195
PubChem CID:	134223234
Reduced:	BrN3C6H8 (1)
Stoich.:	AB3C6D8 (1)
Weight, g/mol:	400.100345
ΔH_f, kcal/mol:	70.93
Dipole, Da:	5.72
IP(EA), eV:	-9.78(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-2-[[5-[hydroxy(methoxymethoxy)methyl]-2-adamantyl]oxy]-2-oxoethanesulfonic acid

Drug info:

PubChemData

Smile

C1CC1CN2C=C(N=N2)Br

DOS

IR

Vibrations