Geometry & MOs

Info

ID:	55341
PubChem CID:	17390905
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	237.055656
ΔH_f, kcal/mol:	-62.21
Dipole, Da:	2.02
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-1,3-benzoxazin-4-one

Drug info:

PubChemData

Smile

CC(C)CC1=NC2=C(C3=C(S2)CCC3)C(=O)O1

DOS

IR

Vibrations