Geometry & MOs

Info

ID:	311183
PubChem CID:	126589784
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	-45.99
Dipole, Da:	7.18
IP(EA), eV:	-9.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,7S)-11-[(3-methylphenyl)methyl]-4-phenyl-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)C3[C@H]4C(=O)C=C[C@@H](C3CO2)N4CC5=CC=CC=C5

DOS

IR

Vibrations