Geometry & MOs

Info

ID:	159513
PubChem CID:	57288292
Reduced:	N2O3C5H6 (1)
Stoich.:	A2B3C5D6 (1)
Weight, g/mol:	479.183967
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	7.67
IP(EA), eV:	-11.27(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(4-chlorophenyl)-3-[diethoxymethyl(ethoxy)phosphoryl]-2-hydroxypropyl]carbamate

Drug info:

PubChemData

Smile

C(C(C#N)C(=O)O)C(=O)N

DOS

IR

Vibrations