Geometry & MOs

Info

ID:	324836
PubChem CID:	126678447
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-92.74
Dipole, Da:	3.63
IP(EA), eV:	-9.04(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3-methylphenyl)methyl]-1,1-dioxo-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

CN1C2CC(CC1C3[C@@H]2C3)OC(=O)[C@H](CO)C4=CC=CC=C4

DOS

IR

Vibrations