Geometry & MOs

Info

ID:	161408
PubChem CID:	57391579
Reduced:	Cl2N2S2O3C17H24 (1)
Stoich.:	A2B2C2D3E17F24 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	3.55
IP(EA), eV:	-9.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] benzoate

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(S3)Cl)Cl

DOS

IR

Vibrations