Geometry & MOs

Info

ID:	191655
PubChem CID:	78173498
Reduced:	N2P3C12O15H23 (1)
Stoich.:	A2B3C12D15E23 (1)
Weight, g/mol:	325.116152
ΔH_f, kcal/mol:	-859.22
Dipole, Da:	5.17
IP(EA), eV:	-10.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-1-[5-hydroxy-2-(4-hydroxyphenyl)-1,3-dioxan-4-yl]-3-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations