Geometry & MOs

Info

ID:	170615
PubChem CID:	75258637
Reduced:	ClN2O2C19H25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	346.068881
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	2.41
IP(EA), eV:	-9.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(triazolidin-4-ylsulfanyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C1CCCCC1C(=O)NCCC2=CC=CC=C2Cl

DOS

IR

Vibrations