Geometry & MOs

Info

ID:	21912
PubChem CID:	593620
Reduced:	BrOSN4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	325.98369
ΔH_f, kcal/mol:	33.8
Dipole, Da:	5.63
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations