Geometry & MOs

Info

ID:	361687
PubChem CID:	127304402
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	3.86
IP(EA), eV:	-9.01(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(C)C4=NC(=NO4)C

DOS

IR

Vibrations