Geometry & MOs

Info

ID:	122506
PubChem CID:	50809688
Reduced:	SN3O3H25C26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	407.141596
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	2.72
IP(EA), eV:	-9.41(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=NNC(=O)C=C4

DOS

IR

Vibrations