Geometry & MOs

Info

ID:	330991
PubChem CID:	127248398
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	3.42
IP(EA), eV:	-9.0(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations