Geometry & MOs

Info

ID:	141504
PubChem CID:	52885210
Reduced:	SO2N6H7C13 (1)
Stoich.:	AB2C6D7E13 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	139.0
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.968313
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-N-(2H-tetrazol-5-yl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C(=NC4=NNN=N4)[O-]

DOS

IR

Vibrations