Geometry & MOs

Info

ID:	301366
PubChem CID:	123080553
Reduced:	ClOSN4H25C26 (1)
Stoich.:	ABCD4E25F26 (1)
Weight, g/mol:	409.112795
ΔH_f, kcal/mol:	97.72
Dipole, Da:	7.08
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-indol-3-ylidenemethyl]-5-propyl-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=CC=C2OCC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations