Geometry & MOs

Info

ID:	142250
PubChem CID:	53006301
Reduced:	ClSN3O5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	455.12817
ΔH_f, kcal/mol:	-169.45
Dipole, Da:	3.73
IP(EA), eV:	-9.13(-1.52)
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-(4-methylcyclohexyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)C3CCCN3S(=O)(=O)C4=C(C=C5C(=C4)OCC(=O)N5)Cl

DOS

IR

Vibrations