Geometry & MOs

Info

ID:	331047
PubChem CID:	127248454
Reduced:	SN4O4C21H28 (1)
Stoich.:	AB4C4D21E28 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-121.9
Dipole, Da:	6.07
IP(EA), eV:	-9.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(azepan-1-yl)acetyl]morpholin-2-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)CN4CCCC4

DOS

IR

Vibrations