Geometry & MOs

Info

ID:	301332
PubChem CID:	123080383
Reduced:	ClSN5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	423.128445
ΔH_f, kcal/mol:	149.68
Dipole, Da:	2.68
IP(EA), eV:	-9.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]-1-(1-ethylindol-3-yl)methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N/C=C/2\C=NC3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations