Geometry & MOs

Info

ID:	382398
PubChem CID:	134973531
Reduced:	PN3C4H8 (1)
Stoich.:	AB3C4D8 (1)
Weight, g/mol:	1068.33095
ΔH_f, kcal/mol:	19.95
Dipole, Da:	3.52
IP(EA), eV:	-8.33(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-4,6-bis[(2R,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC1=NC(=CN1P)N

DOS

IR

Vibrations