Geometry & MOs

Info

ID:	56022
PubChem CID:	17403815
Reduced:	SN2O5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	342.07712
ΔH_f, kcal/mol:	-113.27
Dipole, Da:	4.82
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CNC4=CC(=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations