Geometry & MOs

Info

ID:	60310
PubChem CID:	26683779
Reduced:	SN2O4H14C17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	463.083806
ΔH_f, kcal/mol:	-117.23
Dipole, Da:	3.7
IP(EA), eV:	-9.13(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations