Geometry & MOs

Info

ID:	330987
PubChem CID:	127248394
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	3.06
IP(EA), eV:	-8.52(-1.24)
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]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N

DOS

IR

Vibrations