Geometry & MOs

Info

ID:	330993
PubChem CID:	127248400
Reduced:	SO2N5C22H29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	443.199111
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	3.33
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=NN1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations