Geometry & MOs

Info

ID:	306721
PubChem CID:	125235771
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	6.0
IP(EA), eV:	-8.8(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,4aR,7aS)-1,1-dioxo-6-(pyridin-2-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CC[C@@H]3[C@@H](C2)CO[C@@H]3CC(=O)N4CCCCO4

DOS

IR

Vibrations