Geometry & MOs

Info

ID:	70424
PubChem CID:	48413329
Reduced:	FNSO6C16H22 (1)
Stoich.:	ABCD6E16F22 (1)
Weight, g/mol:	402.065235
ΔH_f, kcal/mol:	-255.9
Dipole, Da:	6.51
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=C(C=C(C(=C2)OC)OC)F

DOS

IR

Vibrations