Geometry & MOs

Info

ID:	39001
PubChem CID:	8138322
Reduced:	SN4O4C14H16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	412.087308
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	5.94
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations