Geometry & MOs

Info

ID:	367793
PubChem CID:	127325851
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	7.67
IP(EA), eV:	-9.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanooxan-4-yl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4(CCOCC4)C#N

DOS

IR

Vibrations