Geometry & MOs

Info

ID:	142879
PubChem CID:	53106539
Reduced:	ClSN4O5H19C21 (1)
Stoich.:	ABC4D5E19F21 (1)
Weight, g/mol:	456.146741
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	4.44
IP(EA), eV:	-8.75(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-ethylphenyl)-6-methyl-3-oxo-1,4-benzoxazine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3CC4=NOC(=N4)C5CC5)Cl

DOS

IR

Vibrations