Geometry & MOs

Info

ID:	331067
PubChem CID:	127248474
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-134.98
Dipole, Da:	3.9
IP(EA), eV:	-9.2(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations