Geometry & MOs

Info

ID:	38610
PubChem CID:	8137242
Reduced:	ClSN3O4C16H20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	398.114568
ΔH_f, kcal/mol:	-135.75
Dipole, Da:	5.91
IP(EA), eV:	-9.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations