Geometry & MOs

Info

ID:	331018
PubChem CID:	127248425
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	6.64
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-(2-propan-2-yloxyacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)OC

DOS

IR

Vibrations