Geometry & MOs

Info

ID:	359488
PubChem CID:	127298762
Reduced:	SO2N3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	381.208613
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	4.77
IP(EA), eV:	-8.88(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N5CCSCC5

DOS

IR

Vibrations