Geometry & MOs

Info

ID:	71161
PubChem CID:	48414379
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	417.150012
ΔH_f, kcal/mol:	23.76
Dipole, Da:	4.07
IP(EA), eV:	-9.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations