Geometry & MOs

Info

ID:	217979
PubChem CID:	85088684
Reduced:	NSO9H11C18 (1)
Stoich.:	ABC9D11E18 (1)
Weight, g/mol:	417.206896
ΔH_f, kcal/mol:	-292.24
Dipole, Da:	2.87
IP(EA), eV:	-8.87(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-diphenylphosphoryl-1-ethoxy-2-hydroxyheptan-4-yl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1CSC2=C(N1)C(=C3C4=C2C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O

DOS

IR

Vibrations