Geometry & MOs

Info

ID:	122975
PubChem CID:	50829396
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	417.114713
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	6.69
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)NCCOC

DOS

IR

Vibrations