Geometry & MOs

Info

ID:	240935
PubChem CID:	93618276
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	3.2
IP(EA), eV:	-8.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)N[C@H]3CCN4[C@@H]3CCCC4

DOS

IR

Vibrations