Geometry & MOs

Info

ID:	252587
PubChem CID:	103112491
Reduced:	BrSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-19.78
Dipole, Da:	2.68
IP(EA), eV:	-9.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=C(S2)Br)C(=O)OC(C)(C)C

DOS

IR

Vibrations