Geometry & MOs

Info

ID:	38618
PubChem CID:	8137262
Reduced:	ClSN3O5C17H22 (1)
Stoich.:	ABC3D5E17F22 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-174.24
Dipole, Da:	2.42
IP(EA), eV:	-9.74(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(=O)NC3CC3)Cl

DOS

IR

Vibrations