Geometry & MOs

Info

ID:	392820
PubChem CID:	135018052
Reduced:	N3C22H22 (1)
Stoich.:	A3B22C22 (1)
Weight, g/mol:	514.21593
ΔH_f, kcal/mol:	110.32
Dipole, Da:	1.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.869266
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(2S,3S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,6-dimethylheptan-2-yl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3[N+](=N2)CC4=CC=C(C=C4)C

DOS

IR

Vibrations