Geometry & MOs

Info

ID:	330854
PubChem CID:	127248261
Reduced:	SO2N3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	436.204531
ΔH_f, kcal/mol:	-28.62
Dipole, Da:	7.06
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC=C1CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations