Geometry & MOs

Info

ID:	147742
PubChem CID:	53787400
Reduced:	SN2O2H26C27 (1)
Stoich.:	AB2C2D26E27 (1)
Weight, g/mol:	387.01379
ΔH_f, kcal/mol:	4.88
Dipole, Da:	4.7
IP(EA), eV:	-8.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-3-propan-2-ylphenyl)-4-chloro-6-methylpyrrolo[2,3-b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=C3N1CC(OC3=CC=C2)CN4CCSCC4)C(=O)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations