Geometry & MOs

Info

ID:	312935
PubChem CID:	126610169
Reduced:	ClSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	379.085144
ΔH_f, kcal/mol:	-3.0
Dipole, Da:	0.56
IP(EA), eV:	-8.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-nitro-5-phenylphenyl)-3-(1H-1,2,4-triazol-5-ylmethylsulfanyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=O)CSC1NC(NN1)C2=CC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations