Geometry & MOs

Info

ID:	446459
PubChem CID:	135275135
Reduced:	FO2N7H26C27 (1)
Stoich.:	AB2C7D26E27 (1)
Weight, g/mol:	478.03806
ΔH_f, kcal/mol:	0.23
Dipole, Da:	6.89
IP(EA), eV:	-8.55(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5,6-diamino-7-(6-cyano-1-benzothiophen-2-yl)-2-benzothiophen-4-yl]-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(CNC5=O)C6=NN=C7N6C=CC=C7

DOS

IR

Vibrations