Geometry & MOs

Info

ID:	395424
PubChem CID:	135025419
Reduced:	ClN5H10C14 (1)
Stoich.:	AB5C10D14 (1)
Weight, g/mol:	339.144689
ΔH_f, kcal/mol:	118.77
Dipole, Da:	4.47
IP(EA), eV:	-9.46(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-2-diethoxyphosphoryl-3-oxobutan-2-yl]oxycarbamate

Drug info:

PubChemData

Smile

CC(C#N)(C#N)C1=C(C(=NC(=N1)C2=CC=CC=C2)N)Cl

DOS

IR

Vibrations