Geometry & MOs

Info

ID:	122860
PubChem CID:	50824671
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	454.131091
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	3.27
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC4=NOC(=N4)C5CCC5

DOS

IR

Vibrations