Geometry & MOs

Info

ID:	431199
PubChem CID:	135171269
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	514.059246
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	2.83
IP(EA), eV:	-8.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-6-oxothieno[2,3-b]pyridin-4-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)O)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations