Geometry & MOs

Info

ID:	122859
PubChem CID:	50824639
Reduced:	FSN5O5C22H22 (1)
Stoich.:	ABC5D5E22F22 (1)
Weight, g/mol:	496.178041
ΔH_f, kcal/mol:	-116.97
Dipole, Da:	4.99
IP(EA), eV:	-9.1(-0.86)
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-N-propan-2-yl-1,4-benzoxazine-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5F

DOS

IR

Vibrations