Geometry & MOs

Info

ID:	26347
PubChem CID:	645246
Reduced:	NO7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	452.130697
ΔH_f, kcal/mol:	-227.24
Dipole, Da:	8.27
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2CCCC(=O)O

DOS

IR

Vibrations