Geometry & MOs

Info

ID:	352285
PubChem CID:	127283369
Reduced:	OSN3C8H12 (2)
Stoich.:	ABC3D8E12 (2)
Weight, g/mol:	369.129317
ΔH_f, kcal/mol:	1.5
Dipole, Da:	1.13
IP(EA), eV:	-8.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)N2CCSCC2)SC3=NN=NN3C4CC4

DOS

IR

Vibrations