Geometry & MOs

Info

ID:	343298
PubChem CID:	127266471
Reduced:	SN4O4H14C15 (1)
Stoich.:	AB4C4D14E15 (1)
Weight, g/mol:	299.120467
ΔH_f, kcal/mol:	28.52
Dipole, Da:	7.13
IP(EA), eV:	-9.28(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[[(Z)-(7-ethylindol-3-ylidene)methyl]amino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=S)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-]

DOS

IR

Vibrations