Geometry & MOs

Info

ID:	229153
PubChem CID:	87567072
Reduced:	BrNPF2O4C12H15 (1)
Stoich.:	ABCD2E4F12G15 (1)
Weight, g/mol:	384.98901
ΔH_f, kcal/mol:	-317.13
Dipole, Da:	5.43
IP(EA), eV:	-10.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-bromo-4-carbamoylphenyl)-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=C(C=C(C=C1)C(=O)N)Br)(F)F)OCC

DOS

IR

Vibrations