Geometry & MOs

Info

ID:	330843
PubChem CID:	127248250
Reduced:	SO2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	435.198048
ΔH_f, kcal/mol:	25.61
Dipole, Da:	3.31
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-[(3,4-dimethylphenyl)methyl]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)N)CC4=CC(=CC=C4)OCC5=CC=CC=N5

DOS

IR

Vibrations