Geometry & MOs

Info

ID:	299770
PubChem CID:	117689278
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	4.96
IP(EA), eV:	-10.02(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3CCCC3

DOS

IR

Vibrations