Geometry & MOs

Info

ID:	142253
PubChem CID:	53006304
Reduced:	ClSN3O6C17H20 (1)
Stoich.:	ABC3D6E17F20 (1)
Weight, g/mol:	435.06557
ΔH_f, kcal/mol:	-217.91
Dipole, Da:	1.4
IP(EA), eV:	-9.26(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations