Geometry & MOs

Info

ID:	73766
PubChem CID:	48420377
Reduced:	BrSN4O4C13H15 (1)
Stoich.:	ABC4D4E13F15 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-82.77
Dipole, Da:	8.57
IP(EA), eV:	-9.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)OCCN1C=NC=N1)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations