Geometry & MOs

Info

ID:	52627
PubChem CID:	12015574
Reduced:	SeN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	408.09521
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	2.6
IP(EA), eV:	-8.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,9R)-1,4-dimethyl-9-(phenylselanylmethyl)-7-oxa-4,8-diazatricyclo[6.5.0.02,6]tridecane-3,5-dione

Drug info:

PubChemData

Smile

C[C@]12CCC[C@@H](N1O[C@H]3[C@@H]2C(=O)N(C3=O)C)C[Se]C4=CC=CC=C4

DOS

IR

Vibrations