Geometry & MOs

Info

ID:	196357
PubChem CID:	78815036
Reduced:	OSN2H9C11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	399.092059
ΔH_f, kcal/mol:	111.02
Dipole, Da:	5.25
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC4=NOC(=C4)C5=CC=CS5

DOS

IR

Vibrations