Geometry & MOs

Info

ID:	301459
PubChem CID:	123080864
Reduced:	BrClSN4H20C24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	513.175395
ΔH_f, kcal/mol:	146.1
Dipole, Da:	5.15
IP(EA), eV:	-8.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=CC=C(C=C3)Br)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations