Geometry & MOs

Info

ID:	267976
PubChem CID:	103592448
Reduced:	FSN2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	304.115796
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	4.62
IP(EA), eV:	-8.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-fluoro-5-methyl-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)NC(=S)N2CC(C)C(C)(C)C

DOS

IR

Vibrations