Geometry & MOs

Info

ID:	142252
PubChem CID:	53006303
Reduced:	ClSN3O7H20C21 (1)
Stoich.:	ABC3D7E20F21 (1)
Weight, g/mol:	429.076134
ΔH_f, kcal/mol:	-223.25
Dipole, Da:	4.3
IP(EA), eV:	-8.26(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations