Geometry & MOs

Info

ID:	43520
PubChem CID:	10321416
Reduced:	ClNO3H26C27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	447.993681
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	6.25
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3R,4R,5S,6R)-2-ethoxy-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)C(=O)N(CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)C3=CC=CC(=C3)/C=C/C(=O)OC

DOS

IR

Vibrations