Geometry & MOs

Info

ID:	331054
PubChem CID:	127248461
Reduced:	SO3N5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-43.14
Dipole, Da:	6.04
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)CCO)C

DOS

IR

Vibrations