Geometry & MOs

Info

ID:	331097
PubChem CID:	127248504
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	7.42
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylmorpholin-2-yl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NCC4=CC(=CC=C4)OC

DOS

IR

Vibrations