Geometry & MOs

Info

ID:	44203
PubChem CID:	10502003
Reduced:	IO8C12H17 (1)
Stoich.:	AB8C12D17 (1)
Weight, g/mol:	416.100836
ΔH_f, kcal/mol:	-358.28
Dipole, Da:	2.19
IP(EA), eV:	-10.15(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H](C(C(O1)O)I)OC(=O)C)OC(=O)C

DOS

IR

Vibrations