Geometry & MOs

Info

ID:	195370
PubChem CID:	78677964
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	406.057648
ΔH_f, kcal/mol:	-92.24
Dipole, Da:	4.9
IP(EA), eV:	-9.44(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCC(CNC(=O)C(C)OC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations