Geometry & MOs

Info

ID:	38607
PubChem CID:	8137230
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	336.098918
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	1.54
IP(EA), eV:	-8.71(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CSCC1=CC=C(C=C1)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations