Geometry & MOs

Info

ID:	302897
PubChem CID:	124403617
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	512.07356
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	4.99
IP(EA), eV:	-8.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,11S,12R,16S)-11-(4-bromobenzoyl)-14-(4-methylphenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CCO)[C@H]2CC(=O)N(C2=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations