Geometry & MOs

Info

ID:	229536
PubChem CID:	87567966
Reduced:	OCl2N7H11C20 (1)
Stoich.:	AB2C7D11E20 (1)
Weight, g/mol:	380.9941
ΔH_f, kcal/mol:	158.09
Dipole, Da:	6.73
IP(EA), eV:	-9.42(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(NN=C2N=C1)CC3=NC=C4N3C=NC(=C4OC5=CC(=CC(=C5)C#N)Cl)Cl

DOS

IR

Vibrations