Geometry & MOs

Info

ID:	331009
PubChem CID:	127248416
Reduced:	SO3N6C21H26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	441.152241
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	6.86
IP(EA), eV:	-9.28(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NNC(=N1)CC(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations