Geometry & MOs

Info

ID:	258513
PubChem CID:	103154628
Reduced:	ClSN2O2C11H17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	313.082934
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	3.88
IP(EA), eV:	-9.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)NC(=O)CC(CN)OC

DOS

IR

Vibrations