Geometry & MOs

Info

ID:	194429
PubChem CID:	78534529
Reduced:	ClFNSO5C16H17 (1)
Stoich.:	ABCDE5F16G17 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-228.16
Dipole, Da:	6.12
IP(EA), eV:	-9.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methylanilino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C=CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations