Geometry & MOs

Info

ID:	390101
PubChem CID:	134997089
Reduced:	NaSN3O3C16H20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	455.214137
ΔH_f, kcal/mol:	-131.94
Dipole, Da:	10.39
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[tert-butyl(dimethyl)silyl]oxybenzo[b][1]benzazepin-11-yl]methyl]-3-isocyanopyrazin-2-amine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCN(CCC2=CC=CC=N2)CCS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations