Geometry & MOs

Info

ID:	364342
PubChem CID:	127315482
Reduced:	OSN2C9H14 (2)
Stoich.:	ABC2D9E14 (2)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	-77.81
Dipole, Da:	3.48
IP(EA), eV:	-8.41(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylpyrimidine-5-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations