Geometry & MOs

Info

ID:	122853
PubChem CID:	50824513
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	448.060818
ΔH_f, kcal/mol:	-107.0
Dipole, Da:	11.15
IP(EA), eV:	-8.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(SC2=C1C=C(C=C2)NC(=O)C3=NNC4=C3CCCC4)C(=O)OC

DOS

IR

Vibrations