Geometry & MOs

Info

ID:	240930
PubChem CID:	93618252
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	4.72
IP(EA), eV:	-8.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CC(=O)N[C@H]3CCN4[C@@H]3CCCC4

DOS

IR

Vibrations