Geometry & MOs

Info

ID:	62119
PubChem CID:	26717629
Reduced:	Cl2N2O3H14C16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	394.030954
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	3.76
IP(EA), eV:	-9.48(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations