Geometry & MOs

Info

ID:	236458
PubChem CID:	92713124
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	360.106312
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	3.02
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C2=CC=CC=C2S1)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations