Geometry & MOs

Info

ID:	306729
PubChem CID:	125236341
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	6.64
IP(EA), eV:	-9.07(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aR,9aR)-4-[(6-methylpyridin-2-yl)methyl]-1,1-dioxo-2,3,4a,5,6,8,9,9a-octahydro-[1,4]thiazino[2,3-d]azepin-7-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C[C@H]2CCN(CC[C@@H]2S1(=O)=O)C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations