Geometry & MOs

Info

ID:	431170
PubChem CID:	135171240
Reduced:	O2F3N3C23H24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	464.199445
ΔH_f, kcal/mol:	-179.9
Dipole, Da:	3.02
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-7-[(3-hydroxycyclopentyl)amino]-6-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]thieno[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1[C@H](COCC1NCC2=CC=CC=C2)N(CC(F)(F)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations