Geometry & MOs

Info

ID:	194296
PubChem CID:	78512323
Reduced:	Cl2N3O3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-67.73
Dipole, Da:	6.4
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=C(N=C3)Cl)Cl

DOS

IR

Vibrations