Geometry & MOs

Info

ID:	122473
PubChem CID:	50808488
Reduced:	SN3O6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	451.214092
ΔH_f, kcal/mol:	-208.63
Dipole, Da:	5.42
IP(EA), eV:	-8.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-[(2-ethyl-6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N(C)CC(=O)NC3=C(C=CC(=C3)C)OC

DOS

IR

Vibrations