Geometry & MOs

Info

ID:	327391
PubChem CID:	126689779
Reduced:	IO2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	826.466468
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	1.38
IP(EA), eV:	-10.22(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,12,23,23-tetrabutoxy-20-dodecyl-8-methyl-19-oxa-5,9-dithiaheptacyclo[13.10.0.03,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2,4(11),6(10),7,13,15,17(24),18(22),20-decaene

Drug info:

PubChemData

Smile

CC1CC(=O)C(CC1=O)I

DOS

IR

Vibrations