Geometry & MOs

Info

ID:	331000
PubChem CID:	127248407
Reduced:	SO2N5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	4.18
IP(EA), eV:	-9.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(dimethylamino)pyridin-3-yl]methyl]morpholin-2-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC4=C(N=CC=C4)N(C)C

DOS

IR

Vibrations