Geometry & MOs

Info

ID:	229534
PubChem CID:	87567963
Reduced:	NC20Br43 (1)
Stoich.:	AB20C43 (1)
Weight, g/mol:	379.84471
ΔH_f, kcal/mol:	303.01
Dipole, Da:	2.98
IP(EA), eV:	-9.32(-3.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-(bromomethyl)phenoxy]-(difluoromethyl)phosphinic acid

Drug info:

Smile

C(C(C(C(C(C(C(C(C(C(C(Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(C(C(C(C(C(C(C(C(C(N(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br)(Br)Br

DOS

IR

Vibrations