Geometry & MOs

Info

ID:	330903
PubChem CID:	127248310
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	3.39
IP(EA), eV:	-9.15(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)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)C(=O)CN5CCOCC5

DOS

IR

Vibrations