Geometry & MOs

Info

ID:	358754
PubChem CID:	127296581
Reduced:	NSO3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	375.118753
ΔH_f, kcal/mol:	-154.25
Dipole, Da:	3.44
IP(EA), eV:	-9.5(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)S(=O)(=O)C

DOS

IR

Vibrations