Geometry & MOs

Info

ID:	170901
PubChem CID:	75296132
Reduced:	Cl2N2O3C23H38 (1)
Stoich.:	A2B2C3D23E38 (1)
Weight, g/mol:	359.145752
ΔH_f, kcal/mol:	-221.2
Dipole, Da:	6.06
IP(EA), eV:	-8.96(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetamido-5-(2,3-dihydroxypropoxy)-3-hydroxycyclohexen-1-yl]phosphonic acid;azane

Drug info:

PubChemData

Smile

CC1CCC2C(C(=O)OC2C3(C1C(CC3=O)N4CCCC4)C)CN5CCCC5.Cl.Cl

DOS

IR

Vibrations