Geometry & MOs

Info

ID:	188156
PubChem CID:	77675382
Reduced:	NO4C26H29 (1)
Stoich.:	AB4C26D29 (1)
Weight, g/mol:	510.068402
ΔH_f, kcal/mol:	-146.74
Dipole, Da:	5.51
IP(EA), eV:	-8.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]thieno[3,2-c]pyridin-6-yl]ethynyl]pyrrolidin-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)CC2=CC(=CC(=C2CC(C(=O)O)N)CC3=C(C=CC(=C3)C)O)C

DOS

IR

Vibrations