Geometry & MOs

Info

ID:	331102
PubChem CID:	127248509
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-67.72
Dipole, Da:	3.25
IP(EA), eV:	-9.18(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NC4(CCCC4)C5=CC=CC=C5

DOS

IR

Vibrations