Geometry & MOs

Info

ID:	31221
PubChem CID:	855236
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	1.15
Dipole, Da:	7.36
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=C(OC=C3)C

DOS

IR

Vibrations