Geometry & MOs

Info

ID:	330986
PubChem CID:	127248393
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	3.38
IP(EA), eV:	-8.38(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=CC(=C2)CN3CCOC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NC)C

DOS

IR

Vibrations