Geometry & MOs

Info

ID:	232765
PubChem CID:	87576925
Reduced:	NO8C12H21 (1)
Stoich.:	AB8C12D21 (1)
Weight, g/mol:	357.97811
ΔH_f, kcal/mol:	-348.48
Dipole, Da:	4.81
IP(EA), eV:	-10.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-bromo-5-hydroxyphenyl)-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CCOC(=O)N(CC=C)C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations