Geometry & MOs

Info

ID:	218445
PubChem CID:	85089457
Reduced:	ClNNa2O7C20H20 (1)
Stoich.:	ABC2D7E20F20 (1)
Weight, g/mol:	467.044165
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	10.55
IP(EA), eV:	-3.43(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-4-[2-methoxy-1-(4-methylphenyl)sulfonyloxy-2-oxoethyl]-4H-1,2-benzoxazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)NCC(C3=CC(=CC=C3)Cl)O.[Na+].[Na+]

DOS

IR

Vibrations