Geometry & MOs

Info

ID:	169942
PubChem CID:	75169835
Reduced:	O3N5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	679.312148
ΔH_f, kcal/mol:	0.84
Dipole, Da:	8.26
IP(EA), eV:	-9.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-[11-phenoxyundecoxy(phenylmethoxy)phosphoryl]acetate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2C=C(C=NC2=O)C(=O)NC(C)C3=NC(=NO3)C

DOS

IR

Vibrations