Geometry & MOs

Info

ID:	142878
PubChem CID:	53106538
Reduced:	ClSN4O5C19H21 (1)
Stoich.:	ABC4D5E19F21 (1)
Weight, g/mol:	474.076469
ΔH_f, kcal/mol:	-95.19
Dipole, Da:	5.09
IP(EA), eV:	-9.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3CC4=NOC(=N4)C5CC5)Cl

DOS

IR

Vibrations