Geometry & MOs

Info

ID:	38000
PubChem CID:	8026300
Reduced:	SO2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	5.98
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-ethyl-1H-indol-3-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1CSC(=N1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations