Geometry & MOs

Info

ID:	228988
PubChem CID:	87566691
Reduced:	ClSO2N5C17H22 (1)
Stoich.:	ABC2D5E17F22 (1)
Weight, g/mol:	427.07235
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	8.66
IP(EA), eV:	-9.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=NN=NN2CC3=CC=C(C=C3)OC.Cl

DOS

IR

Vibrations