Geometry & MOs

Info

ID:	54372
PubChem CID:	17137086
Reduced:	SO2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	488.99288
ΔH_f, kcal/mol:	47.43
Dipole, Da:	6.26
IP(EA), eV:	-9.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations