Geometry & MOs

Info

ID:	301419
PubChem CID:	123080729
Reduced:	ClSN5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	437.144095
ΔH_f, kcal/mol:	141.3
Dipole, Da:	5.95
IP(EA), eV:	-8.99(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1N/C=C/2\C=NC3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations