Geometry & MOs

Info

ID:	142876
PubChem CID:	53106252
Reduced:	S2N3O4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	474.076469
ΔH_f, kcal/mol:	-122.91
Dipole, Da:	5.33
IP(EA), eV:	-9.05(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4)SC1=O

DOS

IR

Vibrations