Geometry & MOs

Info

ID:	122474
PubChem CID:	50808489
Reduced:	SN3O5C22H33 (1)
Stoich.:	AB3C5D22E33 (1)
Weight, g/mol:	409.167142
ΔH_f, kcal/mol:	-220.53
Dipole, Da:	4.08
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N(C)CC(=O)NC3CCCCCCC3

DOS

IR

Vibrations