Geometry & MOs

Info

ID:	330836
PubChem CID:	127248243
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	0.9
Dipole, Da:	2.88
IP(EA), eV:	-8.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-methyl-3-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCOC

DOS

IR

Vibrations