Geometry & MOs

Info

ID:	123332
PubChem CID:	50842826
Reduced:	S2N3O6C21H21 (1)
Stoich.:	A2B3C6D21E21 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-118.16
Dipole, Da:	6.54
IP(EA), eV:	-8.34(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(ON=C1C)/C=C/C2=CC=C(S2)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations