Geometry & MOs

Info

ID:	139586
PubChem CID:	52566498
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	380.155849
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	7.89
IP(EA), eV:	-9.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1CC1)N(CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC

DOS

IR

Vibrations