Geometry & MOs

Info

ID:	393453
PubChem CID:	135020625
Reduced:	SeO2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	370.09938
ΔH_f, kcal/mol:	-36.25
Dipole, Da:	4.53
IP(EA), eV:	-8.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene-5,25-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)[C@H]([C@@H]2C3=CC=CC=C3)[Se]C

DOS

IR

Vibrations