Geometry & MOs

Info

ID:	268522
PubChem CID:	103599758
Reduced:	ClSO2N3H18C23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	47.5
Dipole, Da:	3.75
IP(EA), eV:	-8.33(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-oxoprop-1-enyl]indol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)CC2=CC(=CC=C2)NC(=O)C=CC3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations