Geometry & MOs

Info

ID:	330994
PubChem CID:	127248401
Reduced:	SO3N5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-65.37
Dipole, Da:	6.16
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=NN1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations