Geometry & MOs

Info

ID:	69377
PubChem CID:	46530896
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	4.35
IP(EA), eV:	-8.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations