Geometry & MOs

Info

ID:	46462
PubChem CID:	10524512
Reduced:	OSN3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	391.183067
ΔH_f, kcal/mol:	20.99
Dipole, Da:	4.33
IP(EA), eV:	-8.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-butan-2-ylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methylbenzimidazole

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC=C1CSC2=NC3=C(CCCC3)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations