Geometry & MOs

Info

ID:	37692
PubChem CID:	8023334
Reduced:	OSCl2N3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	358.011366
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	3.62
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3

DOS

IR

Vibrations