Geometry & MOs

Info

ID:	229665
PubChem CID:	87568371
Reduced:	FOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	545.11421
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	8.55
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]ethyl]-N-ethyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CN(C)C(=S)OC1=CC(=C(C=C1)C#N)F

DOS

IR

Vibrations