Geometry & MOs

Info

ID:	382372
PubChem CID:	134973491
Reduced:	SiO5C28H42 (1)
Stoich.:	AB5C28D42 (1)
Weight, g/mol:	338.101505
ΔH_f, kcal/mol:	-246.57
Dipole, Da:	3.1
IP(EA), eV:	-8.78(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,8R)-4-methyl-10-phenyl-2,4,6,10-tetrazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@]([C@@H](C=C1COCC2=CC=CC=C2)/C=C(\C)/CO[Si](C)(C)C(C)(C)C)(C=O)OC(=O)C

DOS

IR

Vibrations