Geometry & MOs

Info

ID:	229573
PubChem CID:	87568064
Reduced:	O9C11H20 (1)
Stoich.:	A9B11C20 (1)
Weight, g/mol:	542.199345
ΔH_f, kcal/mol:	-427.14
Dipole, Da:	8.31
IP(EA), eV:	-10.7(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(CC(=O)O)(CC(=O)O)C(=O)O.C(CCO)CO

DOS

IR

Vibrations