Geometry & MOs

Info

ID:	44705
PubChem CID:	10505462
Reduced:	F2O4N5C25H25 (1)
Stoich.:	A2B4C5D25E25 (1)
Weight, g/mol:	497.158685
ΔH_f, kcal/mol:	-184.15
Dipole, Da:	1.43
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[4-[(2E)-2-(1-oxonaphthalen-2-ylidene)-3H-1,3,4-oxadiazol-5-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC=C(C(=O)N2CC(=O)NC(CC3=CC=CC=C3)C(=O)C(C(=O)NC)(F)F)N

DOS

IR

Vibrations