Geometry & MOs

Info

ID:	276722
PubChem CID:	103824804
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	247.07391
ΔH_f, kcal/mol:	-1.76
Dipole, Da:	4.27
IP(EA), eV:	-8.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(ethylsulfamoyl)ethyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)C

DOS

IR

Vibrations