Geometry & MOs

Info

ID:	199406
PubChem CID:	79242130
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	351.0041
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	8.69
IP(EA), eV:	-10.11(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)NC(C)(C)CCC(=O)O

DOS

IR

Vibrations