Geometry & MOs

Info

ID:	426539
PubChem CID:	135145895
Reduced:	FO2N6C34H37 (1)
Stoich.:	AB2C6D34E37 (1)
Weight, g/mol:	394.157581
ΔH_f, kcal/mol:	-38.63
Dipole, Da:	7.34
IP(EA), eV:	-8.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-methyl-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C2=C3C=C(C=C(C3=NC=C2)F)C4=CNC5=C4C=C(C=N5)CNCC6=CC=CC=C6

DOS

IR

Vibrations