Geometry & MOs

Info

ID:	331014
PubChem CID:	127248421
Reduced:	S2O3N4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-44.1
Dipole, Da:	4.51
IP(EA), eV:	-8.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations