Geometry & MOs

Info

ID:	237198
PubChem CID:	92717863
Reduced:	ClSN2O5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	457.193632
ΔH_f, kcal/mol:	-132.65
Dipole, Da:	3.09
IP(EA), eV:	-9.53(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations