Geometry & MOs

Info

ID:	125044
PubChem CID:	50907903
Reduced:	Cl2O2N4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	398.230453
ΔH_f, kcal/mol:	19.75
Dipole, Da:	8.41
IP(EA), eV:	-9.28(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-1-[(2R,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]hexane-1,4-diol

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)/C(=N/NC2=CC=C(C=C2)Cl)/C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations