Geometry & MOs

Info

ID:	122857
PubChem CID:	50824575
Reduced:	SN4O5C17H20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	458.126006
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	5.38
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)NC4CCCC4

DOS

IR

Vibrations