Geometry & MOs

Info

ID:	151564
PubChem CID:	53837797
Reduced:	BrNS2O6C23H30 (1)
Stoich.:	ABC2D6E23F30 (1)
Weight, g/mol:	348.140868
ΔH_f, kcal/mol:	-233.85
Dipole, Da:	3.06
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9-(4-ethylpiperazin-1-yl)thieno[3,4-b][1]benzazepin-3-ylidene]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](C(C)(C)SCCO)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br

DOS

IR

Vibrations