Geometry & MOs

Info

ID:	386482
PubChem CID:	134981892
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	435.12704
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	3.51
IP(EA), eV:	-8.13(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C=C/C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations