Geometry & MOs

Info

ID:	54384
PubChem CID:	17137143
Reduced:	BrOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	406.042188
ΔH_f, kcal/mol:	53.48
Dipole, Da:	5.17
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations