Geometry & MOs

Info

ID:	330893
PubChem CID:	127248300
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	9.94
Dipole, Da:	2.92
IP(EA), eV:	-8.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)C5=NC=CC=N5

DOS

IR

Vibrations