Geometry & MOs

Info

ID:	56757
PubChem CID:	22389438
Reduced:	ClOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	15.38
Dipole, Da:	2.99
IP(EA), eV:	-9.19(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-3-oxoprop-1-ynyl)-N-(1-azabicyclo[2.2.1]heptan-3-yl)thieno[2,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN2CC1C(C2)NC(=O)C3=NC=C4C(=C3)C(=CS4)Cl

DOS

IR

Vibrations