Geometry & MOs

Info

ID:	331088
PubChem CID:	127248495
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-44.53
Dipole, Da:	3.89
IP(EA), eV:	-9.08(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylmorpholin-2-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NC4=CC=CC=C4C5CC5

DOS

IR

Vibrations