Geometry & MOs

Info

ID:	402189
PubChem CID:	135054820
Reduced:	O2N3H27C33 (1)
Stoich.:	A2B3C27D33 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	48.38
Dipole, Da:	3.87
IP(EA), eV:	-8.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (11S,12R)-3-oxatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8,13-pentaene-11-carboxylate

Drug info:

PubChemData

Smile

C1C=C(N2[C@@H](C[C@@H](C3=CC=CC1=C32)NC(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)C#N)C6=CC=CC=C6

DOS

IR

Vibrations