Geometry & MOs

Info

ID:	343434
PubChem CID:	127266607
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-92.44
Dipole, Da:	4.61
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-oxo-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)C3CS(=O)(=O)C3

DOS

IR

Vibrations