Geometry & MOs

Info

ID:	228976
PubChem CID:	87566578
Reduced:	SO5C11H16 (1)
Stoich.:	AB5C11D16 (1)
Weight, g/mol:	427.03596
ΔH_f, kcal/mol:	-124.35
Dipole, Da:	5.69
IP(EA), eV:	-9.02(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-(2-acetamidoethyl)-2-bromophenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CC1CC2CCC(=C(C2)C(=O)OC)OS1(=O)=O

DOS

IR

Vibrations