Geometry & MOs

Info

ID:	121416
PubChem CID:	50767191
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	348.12224
ΔH_f, kcal/mol:	-140.66
Dipole, Da:	13.75
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCCC(C3)CN4CCCC4)C

DOS

IR

Vibrations