Geometry & MOs

Info

ID:	331077
PubChem CID:	127248484
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	10.79
Dipole, Da:	6.11
IP(EA), eV:	-8.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations